2,2-difluorospiro[2.3]hexane-5-carboxylic acid

C7H8F2O2 — CID 118062966

IUPAC2,2-difluorospiro[2.3]hexane-5-carboxylic acid
SMILESO=C(O)C1CC2(C1)CC2(F)F
InChIInChI=1S/C7H8F2O2/c8-7(9)3-6(7)1-4(2-6)5(10)11/h4H,1-3H2,(H,10,11)
InChIKeyCSENACBSALYMRZ-UHFFFAOYSA-N
MW162.13 g/mol
LogP1.51
Rot. Bonds1

About 2,2-difluorospiro[2.3]hexane-5-carboxylic acid

2,2-difluorospiro[2.3]hexane-5-carboxylic acid (PubChem CID 118062966) has the molecular formula C7H8F2O2 and a molecular weight of 162.13 g/mol. Its IUPAC name is 2,2-difluorospiro[2.3]hexane-5-carboxylic acid.

Molecular Properties

Compound Name2,2-difluorospiro[2.3]hexane-5-carboxylic acid
PubChem CID118062966
Molecular FormulaC7H8F2O2
Molecular Weight162.13 g/mol
Exact Mass162.05
IUPAC Name2,2-difluorospiro[2.3]hexane-5-carboxylic acid
SMILESO=C(O)C1CC2(C1)CC2(F)F
InChIInChI=1S/C7H8F2O2/c8-7(9)3-6(7)1-4(2-6)5(10)11/h4H,1-3H2,(H,10,11)
InChIKeyCSENACBSALYMRZ-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

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Related Compounds

2,2-Difluorospiro[2.3]hexane-1-carboxylic acid
CID 130743894
2,2-Difluorospiro[2.2]pentane-1-carboxylic acid
CID 136575763
Bicyclo[2.1.0]pentane-1-carboxylic acid
CID 23423434
Spiro[2.3]hexane-5-carboxylic acid
CID 64246262
2-(3,3-Difluorocyclobutyl)acetic acid
CID 71743770
3-Cyclopropyl-2,2-difluoropropanoic acid
CID 83854688
1-(1,1-Difluoroethyl)cyclobutane-1-carboxylic acid
CID 84764732
3-(3,3-Difluorocyclobutyl)propanoic acid
CID 90079824
rac-(1R,2R)-2-(difluoromethyl)cyclobutane-1-carboxylic acid
CID 96581652
2-Cyclobutyl-2,2-difluoroacetic acid
CID 105429383
1,1-Difluoro-5-methylspiro(2.3)hexane-5-carboxylic acid
CID 118061823
2-(3,3-Difluoro-1-methylcyclobutyl)acetic acid
CID 118062640

Frequently Asked Questions

What is the IUPAC name of 2,2-difluorospiro[2.3]hexane-5-carboxylic acid?
The IUPAC name of 2,2-difluorospiro[2.3]hexane-5-carboxylic acid (CID 118062966) is 2,2-difluorospiro[2.3]hexane-5-carboxylic acid.
What is the SMILES notation for 2,2-difluorospiro[2.3]hexane-5-carboxylic acid?
The canonical SMILES for 2,2-difluorospiro[2.3]hexane-5-carboxylic acid is O=C(O)C1CC2(C1)CC2(F)F.
What is the InChIKey of 2,2-difluorospiro[2.3]hexane-5-carboxylic acid?
The InChIKey is CSENACBSALYMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O2/c8-7(9)3-6(7)1-4(2-6)5(10)11/h4H,1-3H2,(H,10,11).
What are the key properties of 2,2-difluorospiro[2.3]hexane-5-carboxylic acid?
2,2-difluorospiro[2.3]hexane-5-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-5-carboxylic acid is sourced from PubChem (CID 118062966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).