2-(2,6-difluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine

C14H11F5N2 — CID 102710047

IUPAC2-(2,6-difluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESNC(Cc1c(F)cccc1F)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H11F5N2/c15-11-2-1-3-12(16)8(11)6-13(20)9-7-21-5-4-10(9)14(17,18)19/h1-5,7,13H,6,20H2
InChIKeyOGEYXPGDZAHYEX-UHFFFAOYSA-N
MW302.25 g/mol
LogP3.62
Rot. Bonds3

About 2-(2,6-difluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine

2-(2,6-difluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine (PubChem CID 102710047) has the molecular formula C14H11F5N2 and a molecular weight of 302.25 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
PubChem CID102710047
Molecular FormulaC14H11F5N2
Molecular Weight302.25 g/mol
Exact Mass302.08
IUPAC Name2-(2,6-difluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESNC(Cc1c(F)cccc1F)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H11F5N2/c15-11-2-1-3-12(16)8(11)6-13(20)9-7-21-5-4-10(9)14(17,18)19/h1-5,7,13H,6,20H2
InChIKeyOGEYXPGDZAHYEX-UHFFFAOYSA-N
XLogP3.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102707963
(2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710002
3-cyclopentyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102709687
2-(2,6-difluorophenyl)-1-pyrimidin-5-ylethanamine
CID 115826917
(4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102707952
(2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709770
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
(2-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708099
(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708046
2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105172091
(2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708459
2-(2,6-difluorophenyl)-1-pyridin-2-ylethanamine
CID 114931758

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine?
The IUPAC name of 2-(2,6-difluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine (CID 102710047) is 2-(2,6-difluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine is NC(Cc1c(F)cccc1F)c1cnccc1C(F)(F)F.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine?
The InChIKey is OGEYXPGDZAHYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F5N2/c15-11-2-1-3-12(16)8(11)6-13(20)9-7-21-5-4-10(9)14(17,18)19/h1-5,7,13H,6,20H2.
What are the key properties of 2-(2,6-difluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine?
2-(2,6-difluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine has a molecular weight of 302.25 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 102710047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).