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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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).