2-(2-chloro-6-fluorophenyl)hexanoic acid

C12H14ClFO2 — CID 175420483

IUPAC2-(2-chloro-6-fluorophenyl)hexanoic acid
SMILESCCCCC(C(=O)O)c1c(F)cccc1Cl
InChIInChI=1S/C12H14ClFO2/c1-2-3-5-8(12(15)16)11-9(13)6-4-7-10(11)14/h4,6-8H,2-3,5H2,1H3,(H,15,16)
InChIKeySPROGTLYOHWCJH-UHFFFAOYSA-N
MW244.69 g/mol
LogP3.84
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)hexanoic acid

2-(2-chloro-6-fluorophenyl)hexanoic acid (PubChem CID 175420483) has the molecular formula C12H14ClFO2 and a molecular weight of 244.69 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)hexanoic acid.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)hexanoic acid
PubChem CID175420483
Molecular FormulaC12H14ClFO2
Molecular Weight244.69 g/mol
Exact Mass244.07
IUPAC Name2-(2-chloro-6-fluorophenyl)hexanoic acid
SMILESCCCCC(C(=O)O)c1c(F)cccc1Cl
InChIInChI=1S/C12H14ClFO2/c1-2-3-5-8(12(15)16)11-9(13)6-4-7-10(11)14/h4,6-8H,2-3,5H2,1H3,(H,15,16)
InChIKeySPROGTLYOHWCJH-UHFFFAOYSA-N
XLogP3.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-chloro-6-fluorophenyl)hexanoic 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

2-(2,6-dimethylphenyl)hexanoic acid
CID 66815407
2-(2-fluorophenyl)heptanoic acid
CID 79439623
2-(2-amino-3-fluorophenyl)heptanoic acid
CID 106987341
(2R)-2-(2-chloro-6-fluorophenyl)-2-(methylamino)acetic acid
CID 93280060
2-(2-amino-3-fluorophenyl)decanoic acid
CID 106820197
3-(2-chloro-6-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823544
3-(2-chloro-6-fluorophenyl)pentanedioic acid
CID 82132940
2-(3,4-dichlorophenyl)hexanoic acid
CID 18626644
2-(2-chloro-6-fluorophenyl)-3-(4-nitrophenyl)propanoic acid
CID 82139950
2,4-bis(2-chloro-6-fluorophenyl)pentan-3-one
CID 151106233
(3S)-3-(2-chloro-6-fluorophenyl)-3-hydroxypropanoic acid
CID 94425333
(1S,2R)-1-amino-1-(2-chloro-6-fluorophenyl)pentan-2-ol
CID 171161505

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)hexanoic acid?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)hexanoic acid (CID 175420483) is 2-(2-chloro-6-fluorophenyl)hexanoic acid.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)hexanoic acid?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)hexanoic acid is CCCCC(C(=O)O)c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)hexanoic acid?
The InChIKey is SPROGTLYOHWCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO2/c1-2-3-5-8(12(15)16)11-9(13)6-4-7-10(11)14/h4,6-8H,2-3,5H2,1H3,(H,15,16).
What are the key properties of 2-(2-chloro-6-fluorophenyl)hexanoic acid?
2-(2-chloro-6-fluorophenyl)hexanoic acid has a molecular weight of 244.69 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)hexanoic acid is sourced from PubChem (CID 175420483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).