4-(3-fluoro-2-methoxyphenyl)-2-hydroxy-5-methyl-2-(trifluoromethyl)hex-4-enoic acid

C15H16F4O4 — CID 141205273

IUPAC4-(3-fluoro-2-methoxyphenyl)-2-hydroxy-5-methyl-2-(trifluoromethyl)hex-4-enoic acid
SMILESCOc1c(F)cccc1C(CC(O)(C(=O)O)C(F)(F)F)=C(C)C
InChIInChI=1S/C15H16F4O4/c1-8(2)10(7-14(22,13(20)21)15(17,18)19)9-5-4-6-11(16)12(9)23-3/h4-6,22H,7H2,1-3H3,(H,20,21)
InChIKeyZEABGBFZHVOLLZ-UHFFFAOYSA-N
MW336.28 g/mol
LogP3.40
Rot. Bonds5

About 4-(3-fluoro-2-methoxyphenyl)-2-hydroxy-5-methyl-2-(trifluoromethyl)hex-4-enoic acid

4-(3-fluoro-2-methoxyphenyl)-2-hydroxy-5-methyl-2-(trifluoromethyl)hex-4-enoic acid (PubChem CID 141205273) has the molecular formula C15H16F4O4 and a molecular weight of 336.28 g/mol. Its IUPAC name is 4-(3-fluoro-2-methoxyphenyl)-2-hydroxy-5-methyl-2-(trifluoromethyl)hex-4-enoic acid.

Molecular Properties

Compound Name4-(3-fluoro-2-methoxyphenyl)-2-hydroxy-5-methyl-2-(trifluoromethyl)hex-4-enoic acid
PubChem CID141205273
Molecular FormulaC15H16F4O4
Molecular Weight336.28 g/mol
Exact Mass336.10
IUPAC Name4-(3-fluoro-2-methoxyphenyl)-2-hydroxy-5-methyl-2-(trifluoromethyl)hex-4-enoic acid
SMILESCOc1c(F)cccc1C(CC(O)(C(=O)O)C(F)(F)F)=C(C)C
InChIInChI=1S/C15H16F4O4/c1-8(2)10(7-14(22,13(20)21)15(17,18)19)9-5-4-6-11(16)12(9)23-3/h4-6,22H,7H2,1-3H3,(H,20,21)
InChIKeyZEABGBFZHVOLLZ-UHFFFAOYSA-N
XLogP3.40
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-fluoro-2-methoxyphenyl)-2-hydroxy-5-methyl-2-(trifluoromethyl)hex-4-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(3-fluoro-2-methoxyphenyl)methanone
CID 174934550
(2R)-3-ethyl-4-(3-fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)hex-4-enoic acid
CID 66969642
(Z,2R)-4-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxy-2-(trifluoromethyl)hex-4-enoic acid
CID 68772729
1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 69108587
1-(3-fluoro-2-methoxyphenyl)butan-1-one
CID 66969417
3-chloro-1-(3-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 146008428
2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 82399071
3-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzoic acid
CID 66276514
(3-fluoro-2-methoxyphenyl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56905075
2-ethyl-1-(3-fluoro-2-methoxyphenyl)hexan-1-one
CID 146008444
3-fluoro-N-(4-fluorophenyl)-2-methoxybenzamide
CID 175986233
3-fluoro-2-(2-methoxyethoxy)benzoic acid
CID 62650952

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methoxyphenyl)-2-hydroxy-5-methyl-2-(trifluoromethyl)hex-4-enoic acid?
The IUPAC name of 4-(3-fluoro-2-methoxyphenyl)-2-hydroxy-5-methyl-2-(trifluoromethyl)hex-4-enoic acid (CID 141205273) is 4-(3-fluoro-2-methoxyphenyl)-2-hydroxy-5-methyl-2-(trifluoromethyl)hex-4-enoic acid.
What is the SMILES notation for 4-(3-fluoro-2-methoxyphenyl)-2-hydroxy-5-methyl-2-(trifluoromethyl)hex-4-enoic acid?
The canonical SMILES for 4-(3-fluoro-2-methoxyphenyl)-2-hydroxy-5-methyl-2-(trifluoromethyl)hex-4-enoic acid is COc1c(F)cccc1C(CC(O)(C(=O)O)C(F)(F)F)=C(C)C.
What is the InChIKey of 4-(3-fluoro-2-methoxyphenyl)-2-hydroxy-5-methyl-2-(trifluoromethyl)hex-4-enoic acid?
The InChIKey is ZEABGBFZHVOLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4O4/c1-8(2)10(7-14(22,13(20)21)15(17,18)19)9-5-4-6-11(16)12(9)23-3/h4-6,22H,7H2,1-3H3,(H,20,21).
What are the key properties of 4-(3-fluoro-2-methoxyphenyl)-2-hydroxy-5-methyl-2-(trifluoromethyl)hex-4-enoic acid?
4-(3-fluoro-2-methoxyphenyl)-2-hydroxy-5-methyl-2-(trifluoromethyl)hex-4-enoic acid has a molecular weight of 336.28 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-methoxyphenyl)-2-hydroxy-5-methyl-2-(trifluoromethyl)hex-4-enoic acid is sourced from PubChem (CID 141205273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).