2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine

C9H9F5N2 — CID 103517276

IUPAC2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESCNC(c1cnccc1C(F)(F)F)C(F)F
InChIInChI=1S/C9H9F5N2/c1-15-7(8(10)11)5-4-16-3-2-6(5)9(12,13)14/h2-4,7-8,15H,1H3
InChIKeyJZTVEPWXIFTOOI-UHFFFAOYSA-N
MW240.18 g/mol
LogP2.63
Rot. Bonds3

About 2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine

2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine (PubChem CID 103517276) has the molecular formula C9H9F5N2 and a molecular weight of 240.18 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
PubChem CID103517276
Molecular FormulaC9H9F5N2
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESCNC(c1cnccc1C(F)(F)F)C(F)F
InChIInChI=1S/C9H9F5N2/c1-15-7(8(10)11)5-4-16-3-2-6(5)9(12,13)14/h2-4,7-8,15H,1H3
InChIKeyJZTVEPWXIFTOOI-UHFFFAOYSA-N
XLogP2.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 114222081
N-methyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102710024
2,2,2-trifluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102709994
N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708033
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
N-methyl-1-(1-methylcyclohexyl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 106830738
1-(2,6-dichlorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709752
N,2-dimethyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102709667
N,3,4,4-tetramethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-amine
CID 102710096
N-methyl-1-(4-methylthiophen-3-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708387
1-(5-fluoro-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709981
N-ethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102708349

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine (CID 103517276) is 2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine is CNC(c1cnccc1C(F)(F)F)C(F)F.
What is the InChIKey of 2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine?
The InChIKey is JZTVEPWXIFTOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5N2/c1-15-7(8(10)11)5-4-16-3-2-6(5)9(12,13)14/h2-4,7-8,15H,1H3.
What are the key properties of 2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine?
2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine has a molecular weight of 240.18 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 103517276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).