2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine

C15H12ClF4N — CID 102622579

IUPAC2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1cc(F)ccc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H12ClF4N/c16-13-6-5-10(17)7-9(13)8-14(21)11-3-1-2-4-12(11)15(18,19)20/h1-7,14H,8,21H2
InChIKeyPFWRCJMVKPUHDY-UHFFFAOYSA-N
MW317.71 g/mol
LogP4.74
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine

2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 102622579) has the molecular formula C15H12ClF4N and a molecular weight of 317.71 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID102622579
Molecular FormulaC15H12ClF4N
Molecular Weight317.71 g/mol
Exact Mass317.06
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1cc(F)ccc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H12ClF4N/c16-13-6-5-10(17)7-9(13)8-14(21)11-3-1-2-4-12(11)15(18,19)20/h1-7,14H,8,21H2
InChIKeyPFWRCJMVKPUHDY-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-(2-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethanamine
CID 102618794
2-(2-chloro-5-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 102622535
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 102622560
1-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)ethanamine
CID 105394821
2-(2-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 43197901
3-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 102619974
2-(2-chloro-5-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 102622472
1-(2-chloro-5-fluorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312379
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 102618374
2-(2-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 102618763
1-(5-bromofuran-2-yl)-2-(2-chloro-5-fluorophenyl)ethanamine
CID 102622582
1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 64714150

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine (CID 102622579) is 2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine is NC(Cc1cc(F)ccc1Cl)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is PFWRCJMVKPUHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF4N/c16-13-6-5-10(17)7-9(13)8-14(21)11-3-1-2-4-12(11)15(18,19)20/h1-7,14H,8,21H2.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
2-(2-chloro-5-fluorophenyl)-1-[2-(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-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 102622579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).