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

C12H15F4N — CID 107290165

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-3-amine
SMILESCCC(N)CCc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F4N/c1-2-9(17)5-3-8-4-6-11(13)10(7-8)12(14,15)16/h4,6-7,9H,2-3,5,17H2,1H3
InChIKeyOCJMUUAQIYESJG-UHFFFAOYSA-N
MW249.25 g/mol
LogP3.51
Rot. Bonds4

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

1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-3-amine (PubChem CID 107290165) has the molecular formula C12H15F4N and a molecular weight of 249.25 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-3-amine.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-3-amine
PubChem CID107290165
Molecular FormulaC12H15F4N
Molecular Weight249.25 g/mol
Exact Mass249.11
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-3-amine
SMILESCCC(N)CCc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F4N/c1-2-9(17)5-3-8-4-6-11(13)10(7-8)12(14,15)16/h4,6-7,9H,2-3,5,17H2,1H3
InChIKeyOCJMUUAQIYESJG-UHFFFAOYSA-N
XLogP3.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-difluorophenyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 139022832
1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene
CID 59545613
1-(4-ethoxy-3-fluorophenyl)pentan-3-amine
CID 112513194
1-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975652
4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane
CID 155731469
1-(3,4-dichlorophenyl)pentan-3-amine
CID 43370516
1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine
CID 77277521
ethyl 2-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanoate
CID 79019964
4-(2,3-dimethylbutyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 163781390
(1R,2S)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-2-ol
CID 171159873
(2S)-2-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide
CID 79022999
ethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 145483743

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-3-amine?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-3-amine (CID 107290165) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-3-amine.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-3-amine?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-3-amine is CCC(N)CCc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-3-amine?
The InChIKey is OCJMUUAQIYESJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4N/c1-2-9(17)5-3-8-4-6-11(13)10(7-8)12(14,15)16/h4,6-7,9H,2-3,5,17H2,1H3.
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-3-amine?
1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-3-amine has a molecular weight of 249.25 g/mol, XLogP of 3.51, 4 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]pentan-3-amine is sourced from PubChem (CID 107290165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).