2,2,2-trifluoro-1-(5-fluoro-3-pyridinyl)-N-methylethanamine

C8H8F4N2 — CID 115805337

IUPAC2,2,2-trifluoro-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
SMILESCNC(c1cncc(F)c1)C(F)(F)F
InChIInChI=1S/C8H8F4N2/c1-13-7(8(10,11)12)5-2-6(9)4-14-3-5/h2-4,7,13H,1H3
InChIKeySWSMHLLMYSEXNK-UHFFFAOYSA-N
MW208.16 g/mol
LogP2.04
Rot. Bonds2

About 2,2,2-trifluoro-1-(5-fluoro-3-pyridinyl)-N-methylethanamine

2,2,2-trifluoro-1-(5-fluoro-3-pyridinyl)-N-methylethanamine (PubChem CID 115805337) has the molecular formula C8H8F4N2 and a molecular weight of 208.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(5-fluoro-3-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
PubChem CID115805337
Molecular FormulaC8H8F4N2
Molecular Weight208.16 g/mol
Exact Mass208.06
IUPAC Name2,2,2-trifluoro-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
SMILESCNC(c1cncc(F)c1)C(F)(F)F
InChIInChI=1S/C8H8F4N2/c1-13-7(8(10,11)12)5-2-6(9)4-14-3-5/h2-4,7,13H,1H3
InChIKeySWSMHLLMYSEXNK-UHFFFAOYSA-N
XLogP2.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.16
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-3-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197907
2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)-N-methylethanamine
CID 105026191
2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine
CID 55273393
2,2,2-trifluoro-N-methyl-1-(5-propoxy-3-pyridinyl)ethanamine
CID 105026955
2,2,2-trifluoro-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine
CID 65299585
1-(4-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967877
1-(4-tert-butylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 115805098
1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105175369
1-(5-fluoro-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709981
1-(5-fluoro-3-pyridinyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 115804514
3-cyclopropyl-1-(5-fluoro-3-pyridinyl)-N-methylpropan-1-amine
CID 105157890
1-(5-fluoro-2-pyridinyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 79712254

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(5-fluoro-3-pyridinyl)-N-methylethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(5-fluoro-3-pyridinyl)-N-methylethanamine (CID 115805337) is 2,2,2-trifluoro-1-(5-fluoro-3-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(5-fluoro-3-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(5-fluoro-3-pyridinyl)-N-methylethanamine is CNC(c1cncc(F)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(5-fluoro-3-pyridinyl)-N-methylethanamine?
The InChIKey is SWSMHLLMYSEXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N2/c1-13-7(8(10,11)12)5-2-6(9)4-14-3-5/h2-4,7,13H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(5-fluoro-3-pyridinyl)-N-methylethanamine?
2,2,2-trifluoro-1-(5-fluoro-3-pyridinyl)-N-methylethanamine has a molecular weight of 208.16 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(5-fluoro-3-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 115805337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).