ISDA: 8RH3

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1H0F

IUPAC Name: (2~{R},3~{R})-4,4-bis(fluoranyl)-2-(hydroxymethyl)oxolan-3-ol

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: C1CCOC1

InChI: InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2

InChI Key: WYURNTSHIVDZCO-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C5 H8 F2 O3

Molecular weight: 154.112

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 2

Rotatable Bonds: 3

Heavy Atoms: 10

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	(2~{R},3~{R})-4,4-bis(fluoranyl)-2-(hydroxymethyl)oxolan-3-ol

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C5H8F2O3/c6-5(7)2-10-3(1-8)4(5)9/h3-4,8-9H,1-2H2/t3-,4-/m1/s1
InChIKey	InChI	1.06	XLFTWOXMFCMHBS-QWWZWVQMSA-N
SMILES_CANONICAL	CACTVS	3.385	OC[C@H]1OCC(F)(F)[C@@H]1O
SMILES	CACTVS	3.385	OC[CH]1OCC(F)(F)[CH]1O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C1C([C@@H]([C@H](O1)CO)O)(F)F
SMILES	OpenEye OEToolkits	2.0.7	C1C(C(C(O1)CO)O)(F)F

Chemical Database Mapping