1-(3,5-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine

C15H12F5N — CID 62605037

IUPAC1-(3,5-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1cccc(C(F)(F)F)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H12F5N/c16-12-6-10(7-13(17)8-12)14(21)5-9-2-1-3-11(4-9)15(18,19)20/h1-4,6-8,14H,5,21H2
InChIKeyWHWLMUJIMKSPTC-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.23
Rot. Bonds3

About 1-(3,5-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine

1-(3,5-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 62605037) has the molecular formula C15H12F5N and a molecular weight of 301.26 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID62605037
Molecular FormulaC15H12F5N
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name1-(3,5-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1cccc(C(F)(F)F)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H12F5N/c16-12-6-10(7-13(17)8-12)14(21)5-9-2-1-3-11(4-9)15(18,19)20/h1-4,6-8,14H,5,21H2
InChIKeyWHWLMUJIMKSPTC-UHFFFAOYSA-N
XLogP4.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43825128
(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 96706913
1-(3-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 64713286
1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 79988045
(1S)-1,2-bis[3,5-bis(trifluoromethyl)phenyl]ethanamine
CID 143923962
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 105495790
2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 62791242
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 79704483
1-(2-bromofuran-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 106857204
(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
CID 70396807

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(3,5-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 62605037) is 1-(3,5-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(3,5-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine is NC(Cc1cccc(C(F)(F)F)c1)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is WHWLMUJIMKSPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F5N/c16-12-6-10(7-13(17)8-12)14(21)5-9-2-1-3-11(4-9)15(18,19)20/h1-4,6-8,14H,5,21H2.
What are the key properties of 1-(3,5-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
1-(3,5-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 301.26 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 62605037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).