4-(3,4-difluorophenyl)-2,2-difluorobutanoic acid

C10H8F4O2 — CID 116839749

IUPAC4-(3,4-difluorophenyl)-2,2-difluorobutanoic acid
SMILESO=C(O)C(F)(F)CCc1ccc(F)c(F)c1
InChIInChI=1S/C10H8F4O2/c11-7-2-1-6(5-8(7)12)3-4-10(13,14)9(15)16/h1-2,5H,3-4H2,(H,15,16)
InChIKeyHWHZJOBTDYATKN-UHFFFAOYSA-N
MW236.16 g/mol
LogP2.62
Rot. Bonds4

About 4-(3,4-difluorophenyl)-2,2-difluorobutanoic acid

4-(3,4-difluorophenyl)-2,2-difluorobutanoic acid (PubChem CID 116839749) has the molecular formula C10H8F4O2 and a molecular weight of 236.16 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2,2-difluorobutanoic acid.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-2,2-difluorobutanoic acid
PubChem CID116839749
Molecular FormulaC10H8F4O2
Molecular Weight236.16 g/mol
Exact Mass236.05
IUPAC Name4-(3,4-difluorophenyl)-2,2-difluorobutanoic acid
SMILESO=C(O)C(F)(F)CCc1ccc(F)c(F)c1
InChIInChI=1S/C10H8F4O2/c11-7-2-1-6(5-8(7)12)3-4-10(13,14)9(15)16/h1-2,5H,3-4H2,(H,15,16)
InChIKeyHWHZJOBTDYATKN-UHFFFAOYSA-N
XLogP2.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,4-difluorophenyl)-2,2-dimethylbutanoic acid
CID 65298322
4-(3,3-dimethylbutyl)-1,2-difluorobenzene
CID 59999811
2-[(3,4-difluorophenyl)methyl]-2-ethylbutanoic acid
CID 82919875
2-amino-2-[(3,4-difluorophenyl)methyl]-3,3,3-trifluoropropanoic acid
CID 82925210
N-[2-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 115190351
2,2-difluoro-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid
CID 116839750
3-amino-2-[(3,4-difluorophenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899920
2-(3,4-difluorophenyl)ethanesulfinic acid
CID 69424643
2-amino-4-[2-(3,4-difluorophenyl)ethylsulfanyl]butanoic acid
CID 170770426
(2R)-4-(3-tert-butyl-4-fluorophenyl)-2-ethyl-2-methylbutanoic acid
CID 163777992
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
2-[2-(3,4-difluorophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83936253

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-2,2-difluorobutanoic acid?
The IUPAC name of 4-(3,4-difluorophenyl)-2,2-difluorobutanoic acid (CID 116839749) is 4-(3,4-difluorophenyl)-2,2-difluorobutanoic acid.
What is the SMILES notation for 4-(3,4-difluorophenyl)-2,2-difluorobutanoic acid?
The canonical SMILES for 4-(3,4-difluorophenyl)-2,2-difluorobutanoic acid is O=C(O)C(F)(F)CCc1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenyl)-2,2-difluorobutanoic acid?
The InChIKey is HWHZJOBTDYATKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O2/c11-7-2-1-6(5-8(7)12)3-4-10(13,14)9(15)16/h1-2,5H,3-4H2,(H,15,16).
What are the key properties of 4-(3,4-difluorophenyl)-2,2-difluorobutanoic acid?
4-(3,4-difluorophenyl)-2,2-difluorobutanoic acid has a molecular weight of 236.16 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-2,2-difluorobutanoic acid is sourced from PubChem (CID 116839749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).