2-[2-butyl-5-(trifluoromethyl)phenyl]acetic acid

C13H15F3O2 — CID 73333008

IUPAC2-[2-butyl-5-(trifluoromethyl)phenyl]acetic acid
SMILESCCCCc1ccc(C(F)(F)F)cc1CC(=O)O
InChIInChI=1S/C13H15F3O2/c1-2-3-4-9-5-6-11(13(14,15)16)7-10(9)8-12(17)18/h5-7H,2-4,8H2,1H3,(H,17,18)
InChIKeyIPBKGKMZCQRRIP-UHFFFAOYSA-N
MW260.25 g/mol
LogP3.68
Rot. Bonds5

About 2-[2-butyl-5-(trifluoromethyl)phenyl]acetic acid

2-[2-butyl-5-(trifluoromethyl)phenyl]acetic acid (PubChem CID 73333008) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[2-butyl-5-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-butyl-5-(trifluoromethyl)phenyl]acetic acid
PubChem CID73333008
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name2-[2-butyl-5-(trifluoromethyl)phenyl]acetic acid
SMILESCCCCc1ccc(C(F)(F)F)cc1CC(=O)O
InChIInChI=1S/C13H15F3O2/c1-2-3-4-9-5-6-11(13(14,15)16)7-10(9)8-12(17)18/h5-7H,2-4,8H2,1H3,(H,17,18)
InChIKeyIPBKGKMZCQRRIP-UHFFFAOYSA-N
XLogP3.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(methoxymethyl)-5-(trifluoromethyl)phenyl]acetic acid
CID 91883910
4-[2-methoxy-5-(trifluoromethyl)phenyl]butanoic acid
CID 82262809
2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid
CID 82262840
2-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]acetic acid
CID 91880981
2-[2,6-diethyl-4-(trifluoromethyl)phenyl]acetic acid
CID 66707586
3-[2-butyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]propanoic acid
CID 68833126
2-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetic acid
CID 170999461
1-[2-(bromomethyl)-5-(trifluoromethyl)phenyl]propan-2-one
CID 131281956
5-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-2-one
CID 83921023
(E)-3-[2-propyl-4-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 58111807
2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl-propylamino]acetic acid
CID 122039932
3-butyl-2-[3-(trifluoromethyl)anilino]benzoic acid
CID 70400447

Frequently Asked Questions

What is the IUPAC name of 2-[2-butyl-5-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[2-butyl-5-(trifluoromethyl)phenyl]acetic acid (CID 73333008) is 2-[2-butyl-5-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-butyl-5-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-butyl-5-(trifluoromethyl)phenyl]acetic acid is CCCCc1ccc(C(F)(F)F)cc1CC(=O)O.
What is the InChIKey of 2-[2-butyl-5-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is IPBKGKMZCQRRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2/c1-2-3-4-9-5-6-11(13(14,15)16)7-10(9)8-12(17)18/h5-7H,2-4,8H2,1H3,(H,17,18).
What are the key properties of 2-[2-butyl-5-(trifluoromethyl)phenyl]acetic acid?
2-[2-butyl-5-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 260.25 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-butyl-5-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 73333008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).