[3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanamine

C8H6F6N2 — CID 130081572

IUPAC[3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESNCc1cc(F)nc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H6F6N2/c9-4-1-3(2-15)5(7(10)11)6(16-4)8(12,13)14/h1,7H,2,15H2
InChIKeyRFJDWCUEADRDDE-UHFFFAOYSA-N
MW244.14 g/mol
LogP2.64
Rot. Bonds2

About [3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanamine

[3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanamine (PubChem CID 130081572) has the molecular formula C8H6F6N2 and a molecular weight of 244.14 g/mol. Its IUPAC name is [3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanamine
PubChem CID130081572
Molecular FormulaC8H6F6N2
Molecular Weight244.14 g/mol
Exact Mass244.04
IUPAC Name[3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESNCc1cc(F)nc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H6F6N2/c9-4-1-3(2-15)5(7(10)11)6(16-4)8(12,13)14/h1,7H,2,15H2
InChIKeyRFJDWCUEADRDDE-UHFFFAOYSA-N
XLogP2.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130081569
[6-amino-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 130107727
[6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130086829
[5-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130081564
ethyl 3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)pyridine-4-carboxylate
CID 133104053
[3-bromo-2-(difluoromethyl)-6-fluoro-4-pyridinyl]methanamine
CID 118823517
[4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine
CID 134671455
6-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonyl chloride
CID 133084777
4-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 118824321
[2-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130086828
[4-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 118839527
2-chloro-4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine
CID 119024121

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanamine?
The IUPAC name of [3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanamine (CID 130081572) is [3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanamine.
What is the SMILES notation for [3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanamine?
The canonical SMILES for [3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanamine is NCc1cc(F)nc(C(F)(F)F)c1C(F)F.
What is the InChIKey of [3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanamine?
The InChIKey is RFJDWCUEADRDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6N2/c9-4-1-3(2-15)5(7(10)11)6(16-4)8(12,13)14/h1,7H,2,15H2.
What are the key properties of [3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanamine?
[3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanamine has a molecular weight of 244.14 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanamine is sourced from PubChem (CID 130081572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).