(1S,2R,5R)-6,6-difluorobicyclo[3.1.0]hexane-2-carboxylic acid

C7H8F2O2 — CID 166000589

IUPAC(1S,2R,5R)-6,6-difluorobicyclo[3.1.0]hexane-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@@H]2[C@H]1C2(F)F
InChIInChI=1S/C7H8F2O2/c8-7(9)4-2-1-3(5(4)7)6(10)11/h3-5H,1-2H2,(H,10,11)/t3-,4-,5+/m1/s1
InChIKeyWGLFEUAWPWVCGR-WDCZJNDASA-N
MW162.13 g/mol
LogP1.36
Rot. Bonds1

About (1S,2R,5R)-6,6-difluorobicyclo[3.1.0]hexane-2-carboxylic acid

(1S,2R,5R)-6,6-difluorobicyclo[3.1.0]hexane-2-carboxylic acid (PubChem CID 166000589) has the molecular formula C7H8F2O2 and a molecular weight of 162.13 g/mol. Its IUPAC name is (1S,2R,5R)-6,6-difluorobicyclo[3.1.0]hexane-2-carboxylic acid.

Molecular Properties

Compound Name(1S,2R,5R)-6,6-difluorobicyclo[3.1.0]hexane-2-carboxylic acid
PubChem CID166000589
Molecular FormulaC7H8F2O2
Molecular Weight162.13 g/mol
Exact Mass162.05
IUPAC Name(1S,2R,5R)-6,6-difluorobicyclo[3.1.0]hexane-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@@H]2[C@H]1C2(F)F
InChIInChI=1S/C7H8F2O2/c8-7(9)4-2-1-3(5(4)7)6(10)11/h3-5H,1-2H2,(H,10,11)/t3-,4-,5+/m1/s1
InChIKeyWGLFEUAWPWVCGR-WDCZJNDASA-N
XLogP1.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.13
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R)-6,6-difluorobicyclo[3.1.0]hexane-2-carboxylic acid?
The IUPAC name of (1S,2R,5R)-6,6-difluorobicyclo[3.1.0]hexane-2-carboxylic acid (CID 166000589) is (1S,2R,5R)-6,6-difluorobicyclo[3.1.0]hexane-2-carboxylic acid.
What is the SMILES notation for (1S,2R,5R)-6,6-difluorobicyclo[3.1.0]hexane-2-carboxylic acid?
The canonical SMILES for (1S,2R,5R)-6,6-difluorobicyclo[3.1.0]hexane-2-carboxylic acid is O=C(O)[C@@H]1CC[C@@H]2[C@H]1C2(F)F.
What is the InChIKey of (1S,2R,5R)-6,6-difluorobicyclo[3.1.0]hexane-2-carboxylic acid?
The InChIKey is WGLFEUAWPWVCGR-WDCZJNDASA-N. The full InChI is InChI=1S/C7H8F2O2/c8-7(9)4-2-1-3(5(4)7)6(10)11/h3-5H,1-2H2,(H,10,11)/t3-,4-,5+/m1/s1.
What are the key properties of (1S,2R,5R)-6,6-difluorobicyclo[3.1.0]hexane-2-carboxylic acid?
(1S,2R,5R)-6,6-difluorobicyclo[3.1.0]hexane-2-carboxylic acid has a molecular weight of 162.13 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R)-6,6-difluorobicyclo[3.1.0]hexane-2-carboxylic acid is sourced from PubChem (CID 166000589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).