2,2-difluoro-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]acetic acid

C10H5F7O2 — CID 162738000

IUPAC2,2-difluoro-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]acetic acid
SMILESO=C(O)C(F)(F)c1cccc(C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C10H5F7O2/c11-8(12,7(18)19)5-2-1-3-6(4-5)9(13,14)10(15,16)17/h1-4H,(H,18,19)
InChIKeyOZAIVSSPHKNODZ-UHFFFAOYSA-N
MW290.13 g/mol
LogP3.52
Rot. Bonds3

About 2,2-difluoro-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]acetic acid

2,2-difluoro-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]acetic acid (PubChem CID 162738000) has the molecular formula C10H5F7O2 and a molecular weight of 290.13 g/mol. Its IUPAC name is 2,2-difluoro-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]acetic acid
PubChem CID162738000
Molecular FormulaC10H5F7O2
Molecular Weight290.13 g/mol
Exact Mass290.02
IUPAC Name2,2-difluoro-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]acetic acid
SMILESO=C(O)C(F)(F)c1cccc(C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C10H5F7O2/c11-8(12,7(18)19)5-2-1-3-6(4-5)9(13,14)10(15,16)17/h1-4H,(H,18,19)
InChIKeyOZAIVSSPHKNODZ-UHFFFAOYSA-N
XLogP3.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-tert-butylphenyl)-2,2-difluoroacetic acid
CID 105425731
2-(3-bromophenyl)-2,2-difluoroacetic acid
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2,2-difluoro-2-phenylacetic acid;silver
CID 87172236
2,2-difluoro-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 62916357
2,2-difluoro-2-(3-propan-2-ylsulfanylphenyl)acetic acid
CID 105425708
2,2-difluoro-2-[3-(2-methylpropyl)phenyl]acetic acid
CID 116545513
2-(3-chlorophenyl)-2,2-difluoroacetic acid;2-(3,5-difluorophenyl)-2,2-difluoroacetic acid
CID 118541740
2-(3-cyclobutylphenyl)-2,2-difluoroacetic acid
CID 114605676
2-(3,4-dimethylphenyl)-2,2-difluoroacetic acid
CID 39058323
2,2-difluoro-2-[3-(2-methylsulfonylethoxy)phenyl]acetic acid
CID 118646945
(2R)-2-amino-3,3,3-trifluoro-2-(3-hydroxyphenyl)propanoic acid
CID 131872454
(2S)-2-amino-3,3,3-trifluoro-2-(3-fluorophenyl)propanoic acid
CID 95298191

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]acetic acid?
The IUPAC name of 2,2-difluoro-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]acetic acid (CID 162738000) is 2,2-difluoro-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]acetic acid.
What is the SMILES notation for 2,2-difluoro-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]acetic acid?
The canonical SMILES for 2,2-difluoro-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]acetic acid is O=C(O)C(F)(F)c1cccc(C(F)(F)C(F)(F)F)c1.
What is the InChIKey of 2,2-difluoro-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]acetic acid?
The InChIKey is OZAIVSSPHKNODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F7O2/c11-8(12,7(18)19)5-2-1-3-6(4-5)9(13,14)10(15,16)17/h1-4H,(H,18,19).
What are the key properties of 2,2-difluoro-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]acetic acid?
2,2-difluoro-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]acetic acid has a molecular weight of 290.13 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]acetic acid is sourced from PubChem (CID 162738000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).