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

C12H14F2O2 — CID 116545513

IUPAC2,2-difluoro-2-[3-(2-methylpropyl)phenyl]acetic acid
SMILESCC(C)Cc1cccc(C(F)(F)C(=O)O)c1
InChIInChI=1S/C12H14F2O2/c1-8(2)6-9-4-3-5-10(7-9)12(13,14)11(15)16/h3-5,7-8H,6H2,1-2H3,(H,15,16)
InChIKeyPFJPRSRFEABZHH-UHFFFAOYSA-N
MW228.24 g/mol
LogP3.06
Rot. Bonds4

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

2,2-difluoro-2-[3-(2-methylpropyl)phenyl]acetic acid (PubChem CID 116545513) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 2,2-difluoro-2-[3-(2-methylpropyl)phenyl]acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-[3-(2-methylpropyl)phenyl]acetic acid
PubChem CID116545513
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name2,2-difluoro-2-[3-(2-methylpropyl)phenyl]acetic acid
SMILESCC(C)Cc1cccc(C(F)(F)C(=O)O)c1
InChIInChI=1S/C12H14F2O2/c1-8(2)6-9-4-3-5-10(7-9)12(13,14)11(15)16/h3-5,7-8H,6H2,1-2H3,(H,15,16)
InChIKeyPFJPRSRFEABZHH-UHFFFAOYSA-N
XLogP3.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-2-[3-(2-methylpropyl)phenyl]ethanol
CID 105425775
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
2-(3-tert-butylphenyl)-2,2-difluoroacetic acid
CID 105425731
2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-ol
CID 116542343
2,2-difluoro-2-(3-propan-2-ylsulfanylphenyl)acetic acid
CID 105425708
2-[3-(2-methylpropyl)phenyl]butan-2-ol
CID 116542302
2-methyl-2-[[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]amino]propanoic acid
CID 119187474
1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol
CID 116542792
(2S)-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid
CID 70500671
1-(4-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116542275
2,2,3,3-tetrafluoro-1-[3-(2-methylpropyl)phenyl]propan-1-one
CID 114032586
2,2-difluoro-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]acetic acid
CID 162738000

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[3-(2-methylpropyl)phenyl]acetic acid?
The IUPAC name of 2,2-difluoro-2-[3-(2-methylpropyl)phenyl]acetic acid (CID 116545513) is 2,2-difluoro-2-[3-(2-methylpropyl)phenyl]acetic acid.
What is the SMILES notation for 2,2-difluoro-2-[3-(2-methylpropyl)phenyl]acetic acid?
The canonical SMILES for 2,2-difluoro-2-[3-(2-methylpropyl)phenyl]acetic acid is CC(C)Cc1cccc(C(F)(F)C(=O)O)c1.
What is the InChIKey of 2,2-difluoro-2-[3-(2-methylpropyl)phenyl]acetic acid?
The InChIKey is PFJPRSRFEABZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c1-8(2)6-9-4-3-5-10(7-9)12(13,14)11(15)16/h3-5,7-8H,6H2,1-2H3,(H,15,16).
What are the key properties of 2,2-difluoro-2-[3-(2-methylpropyl)phenyl]acetic acid?
2,2-difluoro-2-[3-(2-methylpropyl)phenyl]acetic acid has a molecular weight of 228.24 g/mol, XLogP of 3.06, 4 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-(2-methylpropyl)phenyl]acetic acid is sourced from PubChem (CID 116545513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).