[4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine

C8H7F5N2 — CID 134671455

IUPAC[4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1cncc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H7F5N2/c9-7(10)6-4(1-14)2-15-3-5(6)8(11,12)13/h2-3,7H,1,14H2
InChIKeyJAIPSNJUHKTGLW-UHFFFAOYSA-N
MW226.15 g/mol
LogP2.50
Rot. Bonds2

About [4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine

[4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 134671455) has the molecular formula C8H7F5N2 and a molecular weight of 226.15 g/mol. Its IUPAC name is [4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID134671455
Molecular FormulaC8H7F5N2
Molecular Weight226.15 g/mol
Exact Mass226.05
IUPAC Name[4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1cncc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H7F5N2/c9-7(10)6-4(1-14)2-15-3-5(6)8(11,12)13/h2-3,7H,1,14H2
InChIKeyJAIPSNJUHKTGLW-UHFFFAOYSA-N
XLogP2.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine (CID 134671455) is [4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine is NCc1cncc(C(F)(F)F)c1C(F)F.
What is the InChIKey of [4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is JAIPSNJUHKTGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5N2/c9-7(10)6-4(1-14)2-15-3-5(6)8(11,12)13/h2-3,7H,1,14H2.
What are the key properties of [4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine?
[4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 226.15 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 134671455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).