2-[2-(fluoromethyl)phenyl]propanoic acid

C10H11FO2 — CID 18434881

IUPAC2-[2-(fluoromethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccccc1CF
InChIInChI=1S/C10H11FO2/c1-7(10(12)13)9-5-3-2-4-8(9)6-11/h2-5,7H,6H2,1H3,(H,12,13)
InChIKeyOIQQASPYTPQRST-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.34
Rot. Bonds3

About 2-[2-(fluoromethyl)phenyl]propanoic acid

2-[2-(fluoromethyl)phenyl]propanoic acid (PubChem CID 18434881) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[2-(fluoromethyl)phenyl]propanoic acid
PubChem CID18434881
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name2-[2-(fluoromethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccccc1CF
InChIInChI=1S/C10H11FO2/c1-7(10(12)13)9-5-3-2-4-8(9)6-11/h2-5,7H,6H2,1H3,(H,12,13)
InChIKeyOIQQASPYTPQRST-UHFFFAOYSA-N
XLogP2.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(2-fluoroethyl)phenyl]propanoic acid
CID 84666825
2-[2-(2-carboxyethyl)phenyl]propanoic acid
CID 18790695
2-[2-[(2-chlorophenyl)methyl]phenyl]propanoic acid
CID 59987709
2-(2-propan-2-ylphenyl)propanoic acid
CID 66999361
2-[2-(fluoromethyl)phenyl]propan-1-ol
CID 117276627
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
methyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
CID 117287616
ethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
CID 117302711
2-[2-(1,2,2,2-tetrafluoroethyl)phenyl]propanoic acid
CID 84728987
dimethyl 2-[[2-(fluoromethyl)phenyl]-phenylmethyl]propanedioate
CID 42600773
2-[5-(fluoromethyl)-2-methoxyphenyl]propanoic acid
CID 84679029
(2R)-2-[2-(bromomethyl)phenyl]propanoyl bromide
CID 141122997

Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethyl)phenyl]propanoic acid?
The IUPAC name of 2-[2-(fluoromethyl)phenyl]propanoic acid (CID 18434881) is 2-[2-(fluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[2-(fluoromethyl)phenyl]propanoic acid?
The canonical SMILES for 2-[2-(fluoromethyl)phenyl]propanoic acid is CC(C(=O)O)c1ccccc1CF.
What is the InChIKey of 2-[2-(fluoromethyl)phenyl]propanoic acid?
The InChIKey is OIQQASPYTPQRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-7(10(12)13)9-5-3-2-4-8(9)6-11/h2-5,7H,6H2,1H3,(H,12,13).
What are the key properties of 2-[2-(fluoromethyl)phenyl]propanoic acid?
2-[2-(fluoromethyl)phenyl]propanoic acid has a molecular weight of 182.19 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 18434881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).