3-[5-(fluoromethyl)-2-hydroxyphenyl]propanoic acid

C10H11FO3 — CID 84668107

IUPAC3-[5-(fluoromethyl)-2-hydroxyphenyl]propanoic acid
SMILESO=C(O)CCc1cc(CF)ccc1O
InChIInChI=1S/C10H11FO3/c11-6-7-1-3-9(12)8(5-7)2-4-10(13)14/h1,3,5,12H,2,4,6H2,(H,13,14)
InChIKeyPPSVWEOVCJDZSL-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.88
Rot. Bonds4

About 3-[5-(fluoromethyl)-2-hydroxyphenyl]propanoic acid

3-[5-(fluoromethyl)-2-hydroxyphenyl]propanoic acid (PubChem CID 84668107) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 3-[5-(fluoromethyl)-2-hydroxyphenyl]propanoic acid.

Molecular Properties

Compound Name3-[5-(fluoromethyl)-2-hydroxyphenyl]propanoic acid
PubChem CID84668107
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name3-[5-(fluoromethyl)-2-hydroxyphenyl]propanoic acid
SMILESO=C(O)CCc1cc(CF)ccc1O
InChIInChI=1S/C10H11FO3/c11-6-7-1-3-9(12)8(5-7)2-4-10(13)14/h1,3,5,12H,2,4,6H2,(H,13,14)
InChIKeyPPSVWEOVCJDZSL-UHFFFAOYSA-N
XLogP1.88
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3,4-bis(2-carboxyethyl)phenyl]propanoic acid
CID 11119944
4-(fluoromethyl)-2-[2-(methylamino)ethyl]phenol
CID 84659130
3-[4-hydroxy-3-(3-methylbutyl)phenyl]propanoic acid
CID 10799814
4-[5-(fluoromethyl)-2-methylphenyl]butanoic acid
CID 117300398
3-[5-bromo-2-(fluoromethyl)phenyl]propanoic acid
CID 134622221
3-[3-(2-fluoroethyl)-4-hydroxyphenyl]-2-methylpropanoic acid
CID 146556898
3-[3-bromo-4-(fluoromethyl)phenyl]propanoic acid
CID 84710394
3-(5-benzoyl-2-hydroxyphenyl)propanoic acid
CID 14089152
3-[7-(fluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propanoic acid
CID 84701892
2-amino-3-[3-(2-fluoroethyl)-4-hydroxyphenyl]propanoic acid
CID 90660840
3-(2,3-dichloro-4-hydroxyphenyl)propanoic acid
CID 123409299
3-(2,4-difluoro-5-hydroxyphenyl)propanoic acid
CID 117290600

Frequently Asked Questions

What is the IUPAC name of 3-[5-(fluoromethyl)-2-hydroxyphenyl]propanoic acid?
The IUPAC name of 3-[5-(fluoromethyl)-2-hydroxyphenyl]propanoic acid (CID 84668107) is 3-[5-(fluoromethyl)-2-hydroxyphenyl]propanoic acid.
What is the SMILES notation for 3-[5-(fluoromethyl)-2-hydroxyphenyl]propanoic acid?
The canonical SMILES for 3-[5-(fluoromethyl)-2-hydroxyphenyl]propanoic acid is O=C(O)CCc1cc(CF)ccc1O.
What is the InChIKey of 3-[5-(fluoromethyl)-2-hydroxyphenyl]propanoic acid?
The InChIKey is PPSVWEOVCJDZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c11-6-7-1-3-9(12)8(5-7)2-4-10(13)14/h1,3,5,12H,2,4,6H2,(H,13,14).
What are the key properties of 3-[5-(fluoromethyl)-2-hydroxyphenyl]propanoic acid?
3-[5-(fluoromethyl)-2-hydroxyphenyl]propanoic acid has a molecular weight of 198.19 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(fluoromethyl)-2-hydroxyphenyl]propanoic acid is sourced from PubChem (CID 84668107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).