2,2-difluorospiro[2.3]hexane-1-carboxylic acid

C7H8F2O2 — CID 130743894

IUPAC2,2-difluorospiro[2.3]hexane-1-carboxylic acid
SMILESO=C(O)C1C(F)(F)C12CCC2
InChIInChI=1S/C7H8F2O2/c8-7(9)4(5(10)11)6(7)2-1-3-6/h4H,1-3H2,(H,10,11)
InChIKeyDXMNAEVEFHUBKW-UHFFFAOYSA-N
MW162.13 g/mol
LogP1.51
Rot. Bonds1

About 2,2-difluorospiro[2.3]hexane-1-carboxylic acid

2,2-difluorospiro[2.3]hexane-1-carboxylic acid (PubChem CID 130743894) has the molecular formula C7H8F2O2 and a molecular weight of 162.13 g/mol. Its IUPAC name is 2,2-difluorospiro[2.3]hexane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-difluorospiro[2.3]hexane-1-carboxylic acid
PubChem CID130743894
Molecular FormulaC7H8F2O2
Molecular Weight162.13 g/mol
Exact Mass162.05
IUPAC Name2,2-difluorospiro[2.3]hexane-1-carboxylic acid
SMILESO=C(O)C1C(F)(F)C12CCC2
InChIInChI=1S/C7H8F2O2/c8-7(9)4(5(10)11)6(7)2-1-3-6/h4H,1-3H2,(H,10,11)
InChIKeyDXMNAEVEFHUBKW-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-difluorospiro[2.3]hexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Spiro(2.3)hexane-1-carboxylic Acid
CID 4642003
6,6-Difluorospiro[3.3]heptane-2-carboxylic acid
CID 71743974
6,6-Difluorospiro(2.5)octane-1-carboxylic acid
CID 86276644
3-(3,3-Difluorocyclobutyl)propanoic acid
CID 90079824
1,1-Difluoro-5-methylspiro(2.3)hexane-5-carboxylic acid
CID 118061823
1,1-Difluorospiro(2.3)hexane-5-carboxylic acid
CID 118062966
5,5-Difluorospiro(2.3)hexane-1-carboxylic acid
CID 146082576
3,3-Difluorospiro(3.3)heptane-1-carboxylic acid
CID 165941611
3,3-Difluoro-2,2-dimethylcyclobutane-1-carboxylic acid
CID 167719562
3-[1-(Difluoromethyl)cyclopropyl]propanoic acid
CID 168023358
3-Cyclobutyl-4,4,4-trifluorobutanoic acid
CID 80486979
Spiro[2.3]hexane-4-carboxylic acid
CID 84716064

Frequently Asked Questions

What is the IUPAC name of 2,2-difluorospiro[2.3]hexane-1-carboxylic acid?
The IUPAC name of 2,2-difluorospiro[2.3]hexane-1-carboxylic acid (CID 130743894) is 2,2-difluorospiro[2.3]hexane-1-carboxylic acid.
What is the SMILES notation for 2,2-difluorospiro[2.3]hexane-1-carboxylic acid?
The canonical SMILES for 2,2-difluorospiro[2.3]hexane-1-carboxylic acid is O=C(O)C1C(F)(F)C12CCC2.
What is the InChIKey of 2,2-difluorospiro[2.3]hexane-1-carboxylic acid?
The InChIKey is DXMNAEVEFHUBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O2/c8-7(9)4(5(10)11)6(7)2-1-3-6/h4H,1-3H2,(H,10,11).
What are the key properties of 2,2-difluorospiro[2.3]hexane-1-carboxylic acid?
2,2-difluorospiro[2.3]hexane-1-carboxylic acid has a molecular weight of 162.13 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorospiro[2.3]hexane-1-carboxylic acid is sourced from PubChem (CID 130743894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).