(2R)-4,4-difluoro-2-phenylbutanoic acid

C10H10F2O2 — CID 95757342

IUPAC(2R)-4,4-difluoro-2-phenylbutanoic acid
SMILESO=C(O)[C@H](CC(F)F)c1ccccc1
InChIInChI=1S/C10H10F2O2/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,13,14)/t8-/m1/s1
InChIKeyPHHJOFMVWMGXNH-MRVPVSSYSA-N
MW200.18 g/mol
LogP2.51
Rot. Bonds4

About (2R)-4,4-difluoro-2-phenylbutanoic acid

(2R)-4,4-difluoro-2-phenylbutanoic acid (PubChem CID 95757342) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is (2R)-4,4-difluoro-2-phenylbutanoic acid.

Molecular Properties

Compound Name(2R)-4,4-difluoro-2-phenylbutanoic acid
PubChem CID95757342
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name(2R)-4,4-difluoro-2-phenylbutanoic acid
SMILESO=C(O)[C@H](CC(F)F)c1ccccc1
InChIInChI=1S/C10H10F2O2/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,13,14)/t8-/m1/s1
InChIKeyPHHJOFMVWMGXNH-MRVPVSSYSA-N
XLogP2.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-difluoro-2-(4-methylphenyl)butanoic acid
CID 79436339
4-iodo-2-phenylpentanoic acid
CID 134988411
4-ethyl-2-phenylhexanoic acid
CID 81009184
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-phenylpropanoic acid
CID 107480863
2-phenylbutanedioic acid
CID 161009404
2-phenyl-3-phosphanylpropanoic acid
CID 174900432
4,4,4-trifluoro-2-phenylbutanoic acid
CID 59415192
5-hydroxy-2-phenylpentanoic acid
CID 79006638
(2S)-2,3-diphenylpropanoic acid
CID 737125
europium;tris(2-phenylbutanedioic acid)
CID 156846982
4-methyl-2,5-diphenylpentanoic acid
CID 82160563
4-methyl-2-phenylheptanoic acid
CID 65430207

Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-difluoro-2-phenylbutanoic acid?
The IUPAC name of (2R)-4,4-difluoro-2-phenylbutanoic acid (CID 95757342) is (2R)-4,4-difluoro-2-phenylbutanoic acid.
What is the SMILES notation for (2R)-4,4-difluoro-2-phenylbutanoic acid?
The canonical SMILES for (2R)-4,4-difluoro-2-phenylbutanoic acid is O=C(O)[C@H](CC(F)F)c1ccccc1.
What is the InChIKey of (2R)-4,4-difluoro-2-phenylbutanoic acid?
The InChIKey is PHHJOFMVWMGXNH-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10F2O2/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-4,4-difluoro-2-phenylbutanoic acid?
(2R)-4,4-difluoro-2-phenylbutanoic acid has a molecular weight of 200.18 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-difluoro-2-phenylbutanoic acid is sourced from PubChem (CID 95757342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).