2-(3-chloro-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine

C15H12ClF4N — CID 103043034

IUPAC2-(3-chloro-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1ccc(F)c(Cl)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12ClF4N/c16-12-7-9(1-6-13(12)17)8-14(21)10-2-4-11(5-3-10)15(18,19)20/h1-7,14H,8,21H2
InChIKeyTZMQVNIGQYQDMW-UHFFFAOYSA-N
MW317.71 g/mol
LogP4.74
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine

2-(3-chloro-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 103043034) has the molecular formula C15H12ClF4N and a molecular weight of 317.71 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID103043034
Molecular FormulaC15H12ClF4N
Molecular Weight317.71 g/mol
Exact Mass317.06
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1ccc(F)c(Cl)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12ClF4N/c16-12-7-9(1-6-13(12)17)8-14(21)10-2-4-11(5-3-10)15(18,19)20/h1-7,14H,8,21H2
InChIKeyTZMQVNIGQYQDMW-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

2-(3-chloro-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 103039768
2-(3-chloro-4-fluorophenyl)-1-phenylethanamine
CID 81144923
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995842
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 103043039
1-(4-tert-butylphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63415791
1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62114714
2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 115803330
1-(3-chloro-5-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 81316901
2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 66144558
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
2-(4-tert-butylphenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107992613
4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-2-fluorobenzene
CID 107993438

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 103043034) is 2-(3-chloro-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine is NC(Cc1ccc(F)c(Cl)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is TZMQVNIGQYQDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF4N/c16-12-7-9(1-6-13(12)17)8-14(21)10-2-4-11(5-3-10)15(18,19)20/h1-7,14H,8,21H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
2-(3-chloro-4-fluorophenyl)-1-[4-(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 2-(3-chloro-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 103043034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).