4-(4-chloro-2,6-difluorophenyl)butanoic acid

C10H9ClF2O2 — CID 117341296

IUPAC4-(4-chloro-2,6-difluorophenyl)butanoic acid
SMILESO=C(O)CCCc1c(F)cc(Cl)cc1F
InChIInChI=1S/C10H9ClF2O2/c11-6-4-8(12)7(9(13)5-6)2-1-3-10(14)15/h4-5H,1-3H2,(H,14,15)
InChIKeyLTKOSUHEVUEFFR-UHFFFAOYSA-N
MW234.63 g/mol
LogP3.03
Rot. Bonds4

About 4-(4-chloro-2,6-difluorophenyl)butanoic acid

4-(4-chloro-2,6-difluorophenyl)butanoic acid (PubChem CID 117341296) has the molecular formula C10H9ClF2O2 and a molecular weight of 234.63 g/mol. Its IUPAC name is 4-(4-chloro-2,6-difluorophenyl)butanoic acid.

Molecular Properties

Compound Name4-(4-chloro-2,6-difluorophenyl)butanoic acid
PubChem CID117341296
Molecular FormulaC10H9ClF2O2
Molecular Weight234.63 g/mol
Exact Mass234.03
IUPAC Name4-(4-chloro-2,6-difluorophenyl)butanoic acid
SMILESO=C(O)CCCc1c(F)cc(Cl)cc1F
InChIInChI=1S/C10H9ClF2O2/c11-6-4-8(12)7(9(13)5-6)2-1-3-10(14)15/h4-5H,1-3H2,(H,14,15)
InChIKeyLTKOSUHEVUEFFR-UHFFFAOYSA-N
XLogP3.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.63
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(4-chloro-2-fluorophenyl)methylsulfonyl]pentanoic acid
CID 117098093
4-(2-fluoro-5-methylphenyl)butanoic acid
CID 83698985
4-(2-chloro-3-fluoro-6-hydroxy-5-methoxyphenyl)butanoic acid
CID 117411352
4-(2-carboxyethyl)-3,5-difluorobenzoic acid
CID 117331908
4-(2-fluoro-4-hydroxyphenyl)butanoic acid
CID 83699430
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
4-[3-chloro-5-(trifluoromethyl)phenyl]butanoic acid
CID 117108467
4-[4-chloro-2-(trifluoromethyl)phenyl]butanoic acid
CID 117108466
4-(4-bromo-5-chloro-2-fluorophenyl)butanoic acid
CID 105399208
4-(3,5-difluoro-4-hydroxyphenyl)butanoic acid
CID 117307682
3-[4-[2-(3,5-dichlorophenyl)ethynyl]-2-fluorophenyl]propanoic acid
CID 66562392
6-[(4-chloro-2-fluorophenyl)methylsulfanyl]hexanoic acid
CID 117098066

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2,6-difluorophenyl)butanoic acid?
The IUPAC name of 4-(4-chloro-2,6-difluorophenyl)butanoic acid (CID 117341296) is 4-(4-chloro-2,6-difluorophenyl)butanoic acid.
What is the SMILES notation for 4-(4-chloro-2,6-difluorophenyl)butanoic acid?
The canonical SMILES for 4-(4-chloro-2,6-difluorophenyl)butanoic acid is O=C(O)CCCc1c(F)cc(Cl)cc1F.
What is the InChIKey of 4-(4-chloro-2,6-difluorophenyl)butanoic acid?
The InChIKey is LTKOSUHEVUEFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O2/c11-6-4-8(12)7(9(13)5-6)2-1-3-10(14)15/h4-5H,1-3H2,(H,14,15).
What are the key properties of 4-(4-chloro-2,6-difluorophenyl)butanoic acid?
4-(4-chloro-2,6-difluorophenyl)butanoic acid has a molecular weight of 234.63 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2,6-difluorophenyl)butanoic acid is sourced from PubChem (CID 117341296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).