2-(4-fluorophenyl)-5,5-dimethylhexanoic acid

C14H19FO2 — CID 79434707

IUPAC2-(4-fluorophenyl)-5,5-dimethylhexanoic acid
SMILESCC(C)(C)CCC(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C14H19FO2/c1-14(2,3)9-8-12(13(16)17)10-4-6-11(15)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,16,17)
InChIKeyWRIRLJXNIJSPNJ-UHFFFAOYSA-N
MW238.30 g/mol
LogP3.82
Rot. Bonds4

About 2-(4-fluorophenyl)-5,5-dimethylhexanoic acid

2-(4-fluorophenyl)-5,5-dimethylhexanoic acid (PubChem CID 79434707) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5,5-dimethylhexanoic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5,5-dimethylhexanoic acid
PubChem CID79434707
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name2-(4-fluorophenyl)-5,5-dimethylhexanoic acid
SMILESCC(C)(C)CCC(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C14H19FO2/c1-14(2,3)9-8-12(13(16)17)10-4-6-11(15)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,16,17)
InChIKeyWRIRLJXNIJSPNJ-UHFFFAOYSA-N
XLogP3.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)heptanoic acid
CID 79435490
2-(4-fluorophenyl)nonanoic acid
CID 79434490
4-ethoxy-2-(4-fluorophenyl)butanoic acid
CID 79434800
2-(4-fluorophenyl)-4-phenylsulfanylbutanoic acid
CID 79435489
2-[4-(1-bromoethyl)phenyl]-5,5,5-trifluoropentanoic acid
CID 174617251
2-(4-fluorophenyl)hex-5-ynoic acid
CID 79434370
2-(4-fluorophenyl)-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 112517412
5,5-dimethyl-2-(3-methylphenyl)hexanoic acid
CID 79437191
2-(4-fluorophenyl)-4-(3-methylbutoxy)butanoic acid
CID 79434045
3-ethoxy-2-(4-fluorophenyl)propanoic acid
CID 103984158
5-(chloromethyl)-2-(4-fluorophenyl)hex-5-enoic acid
CID 58110139
3-(carboxyamino)-2-(4-fluorophenyl)propanoic acid
CID 155055621

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5,5-dimethylhexanoic acid?
The IUPAC name of 2-(4-fluorophenyl)-5,5-dimethylhexanoic acid (CID 79434707) is 2-(4-fluorophenyl)-5,5-dimethylhexanoic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-5,5-dimethylhexanoic acid?
The canonical SMILES for 2-(4-fluorophenyl)-5,5-dimethylhexanoic acid is CC(C)(C)CCC(C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5,5-dimethylhexanoic acid?
The InChIKey is WRIRLJXNIJSPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-14(2,3)9-8-12(13(16)17)10-4-6-11(15)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-fluorophenyl)-5,5-dimethylhexanoic acid?
2-(4-fluorophenyl)-5,5-dimethylhexanoic acid has a molecular weight of 238.30 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5,5-dimethylhexanoic acid is sourced from PubChem (CID 79434707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).