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

C11H11F3O2 — CID 14915115

IUPAC4-[4-(trifluoromethyl)phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3O2/c12-11(13,14)9-6-4-8(5-7-9)2-1-3-10(15)16/h4-7H,1-3H2,(H,15,16)
InChIKeyYZESNPBHOXIPRA-UHFFFAOYSA-N
MW232.20 g/mol
LogP3.11
Rot. Bonds4

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

4-[4-(trifluoromethyl)phenyl]butanoic acid (PubChem CID 14915115) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]butanoic acid
PubChem CID14915115
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name4-[4-(trifluoromethyl)phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3O2/c12-11(13,14)9-6-4-8(5-7-9)2-1-3-10(15)16/h4-7H,1-3H2,(H,15,16)
InChIKeyYZESNPBHOXIPRA-UHFFFAOYSA-N
XLogP3.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]butanoic acid?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]butanoic acid (CID 14915115) is 4-[4-(trifluoromethyl)phenyl]butanoic acid.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]butanoic acid?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]butanoic acid is O=C(O)CCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]butanoic acid?
The InChIKey is YZESNPBHOXIPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c12-11(13,14)9-6-4-8(5-7-9)2-1-3-10(15)16/h4-7H,1-3H2,(H,15,16).
What are the key properties of 4-[4-(trifluoromethyl)phenyl]butanoic acid?
4-[4-(trifluoromethyl)phenyl]butanoic acid has a molecular weight of 232.20 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]butanoic acid is sourced from PubChem (CID 14915115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).