Structural Complex
Chemical ID: A1IPI
IUPAC Name: sevoflurane
Formal Charge: 0
Type: non-polymer
Physiochemical Descriptor:
Formula: C4 H3 F7 O
Molecular weight: 200.055
Hydrogen Bond Acceptor: 1
Hydrogen Bond Donor: 0
Rotatable Bonds: 2
Heavy Atoms: 12
Systematic name
Program Version Descriptor
OpenEye OEToolkits 2.0.7 1,1,1,3,3,3-hexakis(fluoranyl)-2-(fluoranylmethoxy)propane
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.06 InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2
InChIKey InChI 1.06 DFEYYRMXOJXZRJ-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 FCOC(C(F)(F)F)C(F)(F)F
SMILES CACTVS 3.385 FCOC(C(F)(F)F)C(F)(F)F
SMILES_CANONICAL OpenEye OEToolkits 2.0.7 C(OC(C(F)(F)F)C(F)(F)F)F
SMILES OpenEye OEToolkits 2.0.7 C(OC(C(F)(F)F)C(F)(F)F)F
Chemical Database Mapping
Database Reference ID
DrugBank DB01236
ChEMBL CHEMBL1200694
PubChem 5206
ChEBI CHEBI:9130
SureChEMBL 61918
HMDB HMDB0015366
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