4,4,4-trifluoro-3-(3-fluoro-4-methoxyphenyl)butanoic acid

C11H10F4O3 — CID 65101258

IUPAC4,4,4-trifluoro-3-(3-fluoro-4-methoxyphenyl)butanoic acid
SMILESCOc1ccc(C(CC(=O)O)C(F)(F)F)cc1F
InChIInChI=1S/C11H10F4O3/c1-18-9-3-2-6(4-8(9)12)7(5-10(16)17)11(13,14)15/h2-4,7H,5H2,1H3,(H,16,17)
InChIKeySVUOHUYZXPXBQX-UHFFFAOYSA-N
MW266.19 g/mol
LogP2.95
Rot. Bonds4

About 4,4,4-trifluoro-3-(3-fluoro-4-methoxyphenyl)butanoic acid

4,4,4-trifluoro-3-(3-fluoro-4-methoxyphenyl)butanoic acid (PubChem CID 65101258) has the molecular formula C11H10F4O3 and a molecular weight of 266.19 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(3-fluoro-4-methoxyphenyl)butanoic acid.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(3-fluoro-4-methoxyphenyl)butanoic acid
PubChem CID65101258
Molecular FormulaC11H10F4O3
Molecular Weight266.19 g/mol
Exact Mass266.06
IUPAC Name4,4,4-trifluoro-3-(3-fluoro-4-methoxyphenyl)butanoic acid
SMILESCOc1ccc(C(CC(=O)O)C(F)(F)F)cc1F
InChIInChI=1S/C11H10F4O3/c1-18-9-3-2-6(4-8(9)12)7(5-10(16)17)11(13,14)15/h2-4,7H,5H2,1H3,(H,16,17)
InChIKeySVUOHUYZXPXBQX-UHFFFAOYSA-N
XLogP2.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-4,4,4-trifluorobutanoic acid
CID 65021359
(3R)-3-acetamido-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 104941201
3-(ethylamino)-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 65233760
(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 92983104
3-(3-fluoro-4-methoxyphenyl)-3-(propylamino)propanoic acid
CID 65234362
5-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62966105
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116940504
4,4,4-trifluoro-3-(6-methoxy-3-pyridinyl)butanoic acid
CID 114938498
3-amino-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 65096717
3-amino-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 82394258
4-(1-chloro-2,2,2-trifluoroethyl)-2-fluoro-1-methoxybenzene
CID 61085047
4-(dimethylamino)-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116910493

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(3-fluoro-4-methoxyphenyl)butanoic acid?
The IUPAC name of 4,4,4-trifluoro-3-(3-fluoro-4-methoxyphenyl)butanoic acid (CID 65101258) is 4,4,4-trifluoro-3-(3-fluoro-4-methoxyphenyl)butanoic acid.
What is the SMILES notation for 4,4,4-trifluoro-3-(3-fluoro-4-methoxyphenyl)butanoic acid?
The canonical SMILES for 4,4,4-trifluoro-3-(3-fluoro-4-methoxyphenyl)butanoic acid is COc1ccc(C(CC(=O)O)C(F)(F)F)cc1F.
What is the InChIKey of 4,4,4-trifluoro-3-(3-fluoro-4-methoxyphenyl)butanoic acid?
The InChIKey is SVUOHUYZXPXBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O3/c1-18-9-3-2-6(4-8(9)12)7(5-10(16)17)11(13,14)15/h2-4,7H,5H2,1H3,(H,16,17).
What are the key properties of 4,4,4-trifluoro-3-(3-fluoro-4-methoxyphenyl)butanoic acid?
4,4,4-trifluoro-3-(3-fluoro-4-methoxyphenyl)butanoic acid has a molecular weight of 266.19 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(3-fluoro-4-methoxyphenyl)butanoic acid is sourced from PubChem (CID 65101258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).