2-[5-(fluoromethyl)-2-methoxyphenyl]propanoic acid

C11H13FO3 — CID 84679029

IUPAC2-[5-(fluoromethyl)-2-methoxyphenyl]propanoic acid
SMILESCOc1ccc(CF)cc1C(C)C(=O)O
InChIInChI=1S/C11H13FO3/c1-7(11(13)14)9-5-8(6-12)3-4-10(9)15-2/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeySNHKADPISJIRNC-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.35
Rot. Bonds4

About 2-[5-(fluoromethyl)-2-methoxyphenyl]propanoic acid

2-[5-(fluoromethyl)-2-methoxyphenyl]propanoic acid (PubChem CID 84679029) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-[5-(fluoromethyl)-2-methoxyphenyl]propanoic acid.

Molecular Properties

Compound Name2-[5-(fluoromethyl)-2-methoxyphenyl]propanoic acid
PubChem CID84679029
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name2-[5-(fluoromethyl)-2-methoxyphenyl]propanoic acid
SMILESCOc1ccc(CF)cc1C(C)C(=O)O
InChIInChI=1S/C11H13FO3/c1-7(11(13)14)9-5-8(6-12)3-4-10(9)15-2/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeySNHKADPISJIRNC-UHFFFAOYSA-N
XLogP2.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 79002336
2-[3-(fluoromethyl)-4-methoxyphenyl]propanoic acid
CID 117302887
2-(2-methoxy-5-pyrrolidin-1-ylphenyl)propanoic acid
CID 117376272
2-(2,5-dimethoxy-4-methylsulfanylphenyl)propanoic acid
CID 117394352
methyl 2-(2-methoxy-5-propylphenyl)propanoate
CID 105497841
(2S,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 58000802
(2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 10693323
2-(4-amino-2-methoxyphenyl)propanoic acid
CID 141079881
(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 92983104
2-(3-chloro-2-fluoro-4-methoxyphenyl)propanoic acid
CID 117337126
2-[2-(fluoromethyl)phenyl]propanoic acid
CID 18434881
2-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid
CID 117415323

Frequently Asked Questions

What is the IUPAC name of 2-[5-(fluoromethyl)-2-methoxyphenyl]propanoic acid?
The IUPAC name of 2-[5-(fluoromethyl)-2-methoxyphenyl]propanoic acid (CID 84679029) is 2-[5-(fluoromethyl)-2-methoxyphenyl]propanoic acid.
What is the SMILES notation for 2-[5-(fluoromethyl)-2-methoxyphenyl]propanoic acid?
The canonical SMILES for 2-[5-(fluoromethyl)-2-methoxyphenyl]propanoic acid is COc1ccc(CF)cc1C(C)C(=O)O.
What is the InChIKey of 2-[5-(fluoromethyl)-2-methoxyphenyl]propanoic acid?
The InChIKey is SNHKADPISJIRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-7(11(13)14)9-5-8(6-12)3-4-10(9)15-2/h3-5,7H,6H2,1-2H3,(H,13,14).
What are the key properties of 2-[5-(fluoromethyl)-2-methoxyphenyl]propanoic acid?
2-[5-(fluoromethyl)-2-methoxyphenyl]propanoic acid has a molecular weight of 212.22 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(fluoromethyl)-2-methoxyphenyl]propanoic acid is sourced from PubChem (CID 84679029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).