1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-methylmethanamine

C8H8F4N2 — CID 118667304

IUPAC1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1ncc(C(F)(F)F)cc1F
InChIInChI=1S/C8H8F4N2/c1-13-4-7-6(9)2-5(3-14-7)8(10,11)12/h2-3,13H,4H2,1H3
InChIKeyKSELVJVSKHNYIL-UHFFFAOYSA-N
MW208.16 g/mol
LogP1.96
Rot. Bonds2

About 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-methylmethanamine

1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-methylmethanamine (PubChem CID 118667304) has the molecular formula C8H8F4N2 and a molecular weight of 208.16 g/mol. Its IUPAC name is 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-methylmethanamine
PubChem CID118667304
Molecular FormulaC8H8F4N2
Molecular Weight208.16 g/mol
Exact Mass208.06
IUPAC Name1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1ncc(C(F)(F)F)cc1F
InChIInChI=1S/C8H8F4N2/c1-13-4-7-6(9)2-5(3-14-7)8(10,11)12/h2-3,13H,4H2,1H3
InChIKeyKSELVJVSKHNYIL-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylpropanehydrazide
CID 171823030
5-tert-butyl-3-fluoro-2-[2-[5-(trifluoromethyl)-3-pyridinyl]propyl]pyridine
CID 139494943
3-ethyl-2-propyl-5-(trifluoromethyl)pyridine
CID 144510564
[3-(2-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 131870563
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylazanium chloride
CID 22637222
3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine
CID 59514574
methyl 2-fluoro-5-(trifluoromethyl)pyridine-3-carboxylate
CID 118704463
2-butyl-3-chloro-5-(trifluoromethyl)pyridine
CID 68842183
3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine
CID 133090076
3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 66545196
2-(bromomethyl)-5-(trifluoromethyl)pyridin-3-ol;hydrobromide
CID 133062446
methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzoate
CID 75175960

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-methylmethanamine (CID 118667304) is 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-methylmethanamine is CNCc1ncc(C(F)(F)F)cc1F.
What is the InChIKey of 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-methylmethanamine?
The InChIKey is KSELVJVSKHNYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N2/c1-13-4-7-6(9)2-5(3-14-7)8(10,11)12/h2-3,13H,4H2,1H3.
What are the key properties of 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-methylmethanamine?
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-methylmethanamine has a molecular weight of 208.16 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 118667304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).