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

C16H15F4N — CID 107289774

IUPAC1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]propan-1-amine
SMILESCCC(N)c1cccc(-c2ccc(F)c(C(F)(F)F)c2)c1
InChIInChI=1S/C16H15F4N/c1-2-15(21)12-5-3-4-10(8-12)11-6-7-14(17)13(9-11)16(18,19)20/h3-9,15H,2,21H2,1H3
InChIKeyXJVJRKAHTIBCTB-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.92
Rot. Bonds3

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

1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]propan-1-amine (PubChem CID 107289774) has the molecular formula C16H15F4N and a molecular weight of 297.30 g/mol. Its IUPAC name is 1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]propan-1-amine
PubChem CID107289774
Molecular FormulaC16H15F4N
Molecular Weight297.30 g/mol
Exact Mass297.11
IUPAC Name1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]propan-1-amine
SMILESCCC(N)c1cccc(-c2ccc(F)c(C(F)(F)F)c2)c1
InChIInChI=1S/C16H15F4N/c1-2-15(21)12-5-3-4-10(8-12)11-6-7-14(17)13(9-11)16(18,19)20/h3-9,15H,2,21H2,1H3
InChIKeyXJVJRKAHTIBCTB-UHFFFAOYSA-N
XLogP4.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 45156540
1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine
CID 77277521
1-[3-(1-aminopropyl)phenyl]propan-1-amine
CID 20543882
(1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
CID 131481827
1-[3-(2,4-difluoro-5-methylphenyl)phenyl]propan-1-amine
CID 79731856
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
1-[3-(2-fluoro-4,6-dimethylphenyl)phenyl]propan-1-amine
CID 106882319
(1S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171222157
(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171202599
ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene
CID 169205433
(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine;hydrochloride
CID 171202601
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 107289462

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]propan-1-amine?
The IUPAC name of 1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]propan-1-amine (CID 107289774) is 1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]propan-1-amine.
What is the SMILES notation for 1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]propan-1-amine?
The canonical SMILES for 1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]propan-1-amine is CCC(N)c1cccc(-c2ccc(F)c(C(F)(F)F)c2)c1.
What is the InChIKey of 1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]propan-1-amine?
The InChIKey is XJVJRKAHTIBCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N/c1-2-15(21)12-5-3-4-10(8-12)11-6-7-14(17)13(9-11)16(18,19)20/h3-9,15H,2,21H2,1H3.
What are the key properties of 1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]propan-1-amine?
1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]propan-1-amine has a molecular weight of 297.30 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]propan-1-amine is sourced from PubChem (CID 107289774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).