5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-2-propylpentanoic acid

C15H17ClF4O3 — CID 86757646

IUPAC5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-2-propylpentanoic acid
SMILESCCCC(CCC(O)c1cc(F)c(C(F)(F)F)c(Cl)c1)C(=O)O
InChIInChI=1S/C15H17ClF4O3/c1-2-3-8(14(22)23)4-5-12(21)9-6-10(16)13(11(17)7-9)15(18,19)20/h6-8,12,21H,2-5H2,1H3,(H,22,23)
InChIKeyBVNQDHDYBBZWMI-UHFFFAOYSA-N
MW356.74 g/mol
LogP4.81
Rot. Bonds7

About 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-2-propylpentanoic acid

5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-2-propylpentanoic acid (PubChem CID 86757646) has the molecular formula C15H17ClF4O3 and a molecular weight of 356.74 g/mol. Its IUPAC name is 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-2-propylpentanoic acid.

Molecular Properties

Compound Name5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-2-propylpentanoic acid
PubChem CID86757646
Molecular FormulaC15H17ClF4O3
Molecular Weight356.74 g/mol
Exact Mass356.08
IUPAC Name5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-2-propylpentanoic acid
SMILESCCCC(CCC(O)c1cc(F)c(C(F)(F)F)c(Cl)c1)C(=O)O
InChIInChI=1S/C15H17ClF4O3/c1-2-3-8(14(22)23)4-5-12(21)9-6-10(16)13(11(17)7-9)15(18,19)20/h6-8,12,21H,2-5H2,1H3,(H,22,23)
InChIKeyBVNQDHDYBBZWMI-UHFFFAOYSA-N
XLogP4.81
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.74
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-2-propylpentanoic acid?
The IUPAC name of 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-2-propylpentanoic acid (CID 86757646) is 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-2-propylpentanoic acid.
What is the SMILES notation for 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-2-propylpentanoic acid?
The canonical SMILES for 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-2-propylpentanoic acid is CCCC(CCC(O)c1cc(F)c(C(F)(F)F)c(Cl)c1)C(=O)O.
What is the InChIKey of 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-2-propylpentanoic acid?
The InChIKey is BVNQDHDYBBZWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF4O3/c1-2-3-8(14(22)23)4-5-12(21)9-6-10(16)13(11(17)7-9)15(18,19)20/h6-8,12,21H,2-5H2,1H3,(H,22,23).
What are the key properties of 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-2-propylpentanoic acid?
5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-2-propylpentanoic acid has a molecular weight of 356.74 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-2-propylpentanoic acid is sourced from PubChem (CID 86757646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).