1-(3-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine

C15H12ClF4N — CID 64713286

IUPAC1-(3-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1F
InChIInChI=1S/C15H12ClF4N/c16-12-6-2-5-11(14(12)17)13(21)8-9-3-1-4-10(7-9)15(18,19)20/h1-7,13H,8,21H2
InChIKeyNINRYMQXANFKHQ-UHFFFAOYSA-N
MW317.71 g/mol
LogP4.74
Rot. Bonds3

About 1-(3-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine

1-(3-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 64713286) has the molecular formula C15H12ClF4N and a molecular weight of 317.71 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID64713286
Molecular FormulaC15H12ClF4N
Molecular Weight317.71 g/mol
Exact Mass317.06
IUPAC Name1-(3-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1F
InChIInChI=1S/C15H12ClF4N/c16-12-6-2-5-11(14(12)17)13(21)8-9-3-1-4-10(7-9)15(18,19)20/h1-7,13H,8,21H2
InChIKeyNINRYMQXANFKHQ-UHFFFAOYSA-N
XLogP4.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.71
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 64712457
1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 64713656
(1S)-1-(3-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171228901
1-(3,5-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62605037
1-(3-chloro-2-fluorophenyl)-2-(4-iodophenyl)ethanamine
CID 65479346
1-chloro-2-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene
CID 79437571
1-(2-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 105123435
1-(2-bromofuran-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 106857204
(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 96706913
1-(3-chloro-2-fluorophenyl)pentan-1-amine
CID 64713451
1-(3-chloro-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 64713277
1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 64714150

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 64713286) is 1-(3-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine is NC(Cc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is NINRYMQXANFKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF4N/c16-12-6-2-5-11(14(12)17)13(21)8-9-3-1-4-10(7-9)15(18,19)20/h1-7,13H,8,21H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
1-(3-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 317.71 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 64713286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).