3,3-difluoro-3-(2-methylphenyl)propanoic acid

C10H10F2O2 — CID 84669252

IUPAC3,3-difluoro-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C(F)(F)CC(=O)O
InChIInChI=1S/C10H10F2O2/c1-7-4-2-3-5-8(7)10(11,12)6-9(13)14/h2-5H,6H2,1H3,(H,13,14)
InChIKeyIYUVDWMBBTZMPZ-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.56
Rot. Bonds3

About 3,3-difluoro-3-(2-methylphenyl)propanoic acid

3,3-difluoro-3-(2-methylphenyl)propanoic acid (PubChem CID 84669252) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 3,3-difluoro-3-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3,3-difluoro-3-(2-methylphenyl)propanoic acid
PubChem CID84669252
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name3,3-difluoro-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C(F)(F)CC(=O)O
InChIInChI=1S/C10H10F2O2/c1-7-4-2-3-5-8(7)10(11,12)6-9(13)14/h2-5H,6H2,1H3,(H,13,14)
InChIKeyIYUVDWMBBTZMPZ-UHFFFAOYSA-N
XLogP2.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-difluoro-3-(2,4,5-trimethylphenyl)propanoic acid
CID 116838380
3-(2-fluoro-3-methylphenyl)-3-methylbutanoic acid
CID 117300324
3,3-difluoro-3-(3-methylphenyl)propanoic acid;ethane
CID 170751473
methyl 3,4,4,4-tetrafluoro-3-(2-methylphenyl)butanoate
CID 146013735
2,2-difluoro-2-(2-methylphenyl)ethanamine;hydrochloride
CID 122164073
3,3-difluoro-3-(2,4,6-trimethylphenyl)propanoic acid
CID 116838349
3-amino-3-fluoro-3-phenylpropanoic acid
CID 70119965
3,4,4,4-tetrafluoro-3-phenylbutanoic acid
CID 84736567
3-[3-[difluoro-(2-methylphenyl)methyl]phenyl]propanoic acid
CID 175027747
3-[2-(2,2-difluoropropyl)phenyl]-3-methylbutanoic acid
CID 117394032
3,3-difluoro-3-(3-fluorophenyl)propanoic acid
CID 84672023
2-chloroacetic acid;2-(2-methylphenyl)propan-2-amine
CID 173188958

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-3-(2-methylphenyl)propanoic acid?
The IUPAC name of 3,3-difluoro-3-(2-methylphenyl)propanoic acid (CID 84669252) is 3,3-difluoro-3-(2-methylphenyl)propanoic acid.
What is the SMILES notation for 3,3-difluoro-3-(2-methylphenyl)propanoic acid?
The canonical SMILES for 3,3-difluoro-3-(2-methylphenyl)propanoic acid is Cc1ccccc1C(F)(F)CC(=O)O.
What is the InChIKey of 3,3-difluoro-3-(2-methylphenyl)propanoic acid?
The InChIKey is IYUVDWMBBTZMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-7-4-2-3-5-8(7)10(11,12)6-9(13)14/h2-5H,6H2,1H3,(H,13,14).
What are the key properties of 3,3-difluoro-3-(2-methylphenyl)propanoic acid?
3,3-difluoro-3-(2-methylphenyl)propanoic acid has a molecular weight of 200.18 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-3-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 84669252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).