1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine

C11H13F4N — CID 77277521

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCCC(N)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H13F4N/c1-2-3-10(16)7-4-5-9(12)8(6-7)11(13,14)15/h4-6,10H,2-3,16H2,1H3
InChIKeyIOKQBZCLCSLBJG-UHFFFAOYSA-N
MW235.22 g/mol
LogP3.64
Rot. Bonds3

About 1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine

1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 77277521) has the molecular formula C11H13F4N and a molecular weight of 235.22 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID77277521
Molecular FormulaC11H13F4N
Molecular Weight235.22 g/mol
Exact Mass235.10
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCCC(N)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H13F4N/c1-2-3-10(16)7-4-5-9(12)8(6-7)11(13,14)15/h4-6,10H,2-3,16H2,1H3
InChIKeyIOKQBZCLCSLBJG-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171202599
(1S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171222184
(1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
CID 131481827
(1S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171222149
4-(1-aminobutyl)-2-(trifluoromethyl)phenol
CID 171922232
1-[4-bromo-3-(trifluoromethyl)phenyl]butan-1-amine
CID 114982015
(1S,2R)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-2-ol
CID 171161304
(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171207635
(1S,2R)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-2-ol;hydrochloride
CID 171161305
(1S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171222157
(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine;hydrochloride
CID 171202601
[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propylpentyl]hydrazine
CID 107292585

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine (CID 77277521) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine is CCCC(N)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is IOKQBZCLCSLBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N/c1-2-3-10(16)7-4-5-9(12)8(6-7)11(13,14)15/h4-6,10H,2-3,16H2,1H3.
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine?
1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine has a molecular weight of 235.22 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 77277521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).