2-cyclohex-2-en-1-yl-2,2-difluoroacetic acid

C8H10F2O2 — CID 14088482

IUPAC2-cyclohex-2-en-1-yl-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)C1C=CCCC1
InChIInChI=1S/C8H10F2O2/c9-8(10,7(11)12)6-4-2-1-3-5-6/h2,4,6H,1,3,5H2,(H,11,12)
InChIKeyZAVJDXHLIAVXPZ-UHFFFAOYSA-N
MW176.16 g/mol
LogP2.06
Rot. Bonds2

About 2-cyclohex-2-en-1-yl-2,2-difluoroacetic acid

2-cyclohex-2-en-1-yl-2,2-difluoroacetic acid (PubChem CID 14088482) has the molecular formula C8H10F2O2 and a molecular weight of 176.16 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yl-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yl-2,2-difluoroacetic acid
PubChem CID14088482
Molecular FormulaC8H10F2O2
Molecular Weight176.16 g/mol
Exact Mass176.06
IUPAC Name2-cyclohex-2-en-1-yl-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)C1C=CCCC1
InChIInChI=1S/C8H10F2O2/c9-8(10,7(11)12)6-4-2-1-3-5-6/h2,4,6H,1,3,5H2,(H,11,12)
InChIKeyZAVJDXHLIAVXPZ-UHFFFAOYSA-N
XLogP2.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Alepramic acid
CID 15650101
Cyclohex-2-en-1-ylacetic acid
CID 227350
2-Butyl-5,6,6,7,7,8,8,8-octafluorooct-4-enoic acid
CID 71429348
2-(Cyclohept-4-EN-1-YL)acetic acid
CID 12592088
2-((1S)-cyclohex-3-en-1-yl)acetic acid
CID 13265741
3-(Cyclohex-3-en-1-yl)propanoic acid
CID 565016
Cyclooctene-4-carboxylic acid
CID 10975701
(Cyclohex-3-en-1-yl)acetic acid
CID 12711947
2-((1R)-cyclohex-3-en-1-yl)acetic acid
CID 71396523
rac-(1R,2S,4R)-2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 93497302
3-Ethenyl-2,2-difluorohexanoic acid
CID 14088478
4-Methyl-1-(trifluoromethyl)cyclohex-3-ene-1-carboxylic acid
CID 14806091

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-yl-2,2-difluoroacetic acid?
The IUPAC name of 2-cyclohex-2-en-1-yl-2,2-difluoroacetic acid (CID 14088482) is 2-cyclohex-2-en-1-yl-2,2-difluoroacetic acid.
What is the SMILES notation for 2-cyclohex-2-en-1-yl-2,2-difluoroacetic acid?
The canonical SMILES for 2-cyclohex-2-en-1-yl-2,2-difluoroacetic acid is O=C(O)C(F)(F)C1C=CCCC1.
What is the InChIKey of 2-cyclohex-2-en-1-yl-2,2-difluoroacetic acid?
The InChIKey is ZAVJDXHLIAVXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O2/c9-8(10,7(11)12)6-4-2-1-3-5-6/h2,4,6H,1,3,5H2,(H,11,12).
What are the key properties of 2-cyclohex-2-en-1-yl-2,2-difluoroacetic acid?
2-cyclohex-2-en-1-yl-2,2-difluoroacetic acid has a molecular weight of 176.16 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-yl-2,2-difluoroacetic acid is sourced from PubChem (CID 14088482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).