4-[4-chloro-2-(trifluoromethyl)phenyl]butanoic acid

C11H10ClF3O2 — CID 117108466

IUPAC4-[4-chloro-2-(trifluoromethyl)phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H10ClF3O2/c12-8-5-4-7(2-1-3-10(16)17)9(6-8)11(13,14)15/h4-6H,1-3H2,(H,16,17)
InChIKeyYVXUNXBULCMTPL-UHFFFAOYSA-N
MW266.65 g/mol
LogP3.77
Rot. Bonds4

About 4-[4-chloro-2-(trifluoromethyl)phenyl]butanoic acid

4-[4-chloro-2-(trifluoromethyl)phenyl]butanoic acid (PubChem CID 117108466) has the molecular formula C11H10ClF3O2 and a molecular weight of 266.65 g/mol. Its IUPAC name is 4-[4-chloro-2-(trifluoromethyl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-chloro-2-(trifluoromethyl)phenyl]butanoic acid
PubChem CID117108466
Molecular FormulaC11H10ClF3O2
Molecular Weight266.65 g/mol
Exact Mass266.03
IUPAC Name4-[4-chloro-2-(trifluoromethyl)phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H10ClF3O2/c12-8-5-4-7(2-1-3-10(16)17)9(6-8)11(13,14)15/h4-6H,1-3H2,(H,16,17)
InChIKeyYVXUNXBULCMTPL-UHFFFAOYSA-N
XLogP3.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid
CID 162738006
3-[4-hydroxy-2-(trifluoromethyl)phenyl]propanoic acid
CID 84697357
4-[2-fluoro-3-(trifluoromethyl)phenyl]butanoic acid
CID 117378294
O-[2-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 117111465
4-(7-chloro-3-hydroxynaphthalen-2-yl)butanoic acid
CID 117416110
ethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]acetate
CID 53419399
4-[2-(trifluoromethyl)phenyl]butanal;4-[2-(trifluoromethyl)phenyl]butanoic acid
CID 161321713
4-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]butanoic acid
CID 117108472
3-[2-(carboxymethyl)-5-chlorophenyl]propanoic acid
CID 118836350
1-[3-[4-chloro-2-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine
CID 170862929
3-bromo-4-[4-chloro-2-(trifluoromethyl)phenyl]butan-2-one
CID 55071546
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbutanamide
CID 842100

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-2-(trifluoromethyl)phenyl]butanoic acid?
The IUPAC name of 4-[4-chloro-2-(trifluoromethyl)phenyl]butanoic acid (CID 117108466) is 4-[4-chloro-2-(trifluoromethyl)phenyl]butanoic acid.
What is the SMILES notation for 4-[4-chloro-2-(trifluoromethyl)phenyl]butanoic acid?
The canonical SMILES for 4-[4-chloro-2-(trifluoromethyl)phenyl]butanoic acid is O=C(O)CCCc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-[4-chloro-2-(trifluoromethyl)phenyl]butanoic acid?
The InChIKey is YVXUNXBULCMTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O2/c12-8-5-4-7(2-1-3-10(16)17)9(6-8)11(13,14)15/h4-6H,1-3H2,(H,16,17).
What are the key properties of 4-[4-chloro-2-(trifluoromethyl)phenyl]butanoic acid?
4-[4-chloro-2-(trifluoromethyl)phenyl]butanoic acid has a molecular weight of 266.65 g/mol, XLogP of 3.77, 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-(trifluoromethyl)phenyl]butanoic acid is sourced from PubChem (CID 117108466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).