2-(4-ethenylphenyl)-2,2-difluoroacetic acid

C10H8F2O2 — CID 154126717

IUPAC2-(4-ethenylphenyl)-2,2-difluoroacetic acid
SMILESC=Cc1ccc(C(F)(F)C(=O)O)cc1
InChIInChI=1S/C10H8F2O2/c1-2-7-3-5-8(6-4-7)10(11,12)9(13)14/h2-6H,1H2,(H,13,14)
InChIKeyZJXNQZJUAKWKDT-UHFFFAOYSA-N
MW198.17 g/mol
LogP2.51
Rot. Bonds3

About 2-(4-ethenylphenyl)-2,2-difluoroacetic acid

2-(4-ethenylphenyl)-2,2-difluoroacetic acid (PubChem CID 154126717) has the molecular formula C10H8F2O2 and a molecular weight of 198.17 g/mol. Its IUPAC name is 2-(4-ethenylphenyl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(4-ethenylphenyl)-2,2-difluoroacetic acid
PubChem CID154126717
Molecular FormulaC10H8F2O2
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name2-(4-ethenylphenyl)-2,2-difluoroacetic acid
SMILESC=Cc1ccc(C(F)(F)C(=O)O)cc1
InChIInChI=1S/C10H8F2O2/c1-2-7-3-5-8(6-4-7)10(11,12)9(13)14/h2-6H,1H2,(H,13,14)
InChIKeyZJXNQZJUAKWKDT-UHFFFAOYSA-N
XLogP2.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-2-phenylacetic acid;silver
CID 87172236
4-ethenylbenzoic acid;silver
CID 58108047
1-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)benzene
CID 18928984
1-(1,1-difluoroethyl)-4-ethenylbenzene
CID 59554717
1,4-bis(ethenyl)benzene;urea
CID 18766675
4-ethenylbenzoic acid;styrene
CID 22341601
4-(4-ethenylphenyl)benzoic acid
CID 10955203
(4-ethenylphenyl)-difluoromethanesulfonamide
CID 175410018
(4-ethenylphenyl)-difluoromethanesulfonate
CID 59554748
1-tert-butyl-4-ethenylbenzene
CID 15627
carbanylium;(4-ethenylphenyl)-difluoromethanesulfonate
CID 159575348
1-tert-butyl-4-ethenylbenzene;trifluoromethyl 2-methylprop-2-enoate
CID 158477924

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylphenyl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(4-ethenylphenyl)-2,2-difluoroacetic acid (CID 154126717) is 2-(4-ethenylphenyl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(4-ethenylphenyl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(4-ethenylphenyl)-2,2-difluoroacetic acid is C=Cc1ccc(C(F)(F)C(=O)O)cc1.
What is the InChIKey of 2-(4-ethenylphenyl)-2,2-difluoroacetic acid?
The InChIKey is ZJXNQZJUAKWKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O2/c1-2-7-3-5-8(6-4-7)10(11,12)9(13)14/h2-6H,1H2,(H,13,14).
What are the key properties of 2-(4-ethenylphenyl)-2,2-difluoroacetic acid?
2-(4-ethenylphenyl)-2,2-difluoroacetic acid has a molecular weight of 198.17 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylphenyl)-2,2-difluoroacetic acid is sourced from PubChem (CID 154126717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).