N-(2,2,2-trifluoroethyl)pyridin-3-amine

C7H7F3N2 — CID 12702857

IUPACN-(2,2,2-trifluoroethyl)pyridin-3-amine
SMILESFC(F)(F)CNc1cccnc1
InChIInChI=1S/C7H7F3N2/c8-7(9,10)5-12-6-2-1-3-11-4-6/h1-4,12H,5H2
InChIKeyVBKBVAMLBKRKSE-UHFFFAOYSA-N
MW176.14 g/mol
LogP2.06
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)pyridin-3-amine

N-(2,2,2-trifluoroethyl)pyridin-3-amine (PubChem CID 12702857) has the molecular formula C7H7F3N2 and a molecular weight of 176.14 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)pyridin-3-amine
PubChem CID12702857
Molecular FormulaC7H7F3N2
Molecular Weight176.14 g/mol
Exact Mass176.06
IUPAC NameN-(2,2,2-trifluoroethyl)pyridin-3-amine
SMILESFC(F)(F)CNc1cccnc1
InChIInChI=1S/C7H7F3N2/c8-7(9,10)5-12-6-2-1-3-11-4-6/h1-4,12H,5H2
InChIKeyVBKBVAMLBKRKSE-UHFFFAOYSA-N
XLogP2.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)pyridin-3-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)pyridin-3-amine (CID 12702857) is N-(2,2,2-trifluoroethyl)pyridin-3-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)pyridin-3-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)pyridin-3-amine is FC(F)(F)CNc1cccnc1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)pyridin-3-amine?
The InChIKey is VBKBVAMLBKRKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2/c8-7(9,10)5-12-6-2-1-3-11-4-6/h1-4,12H,5H2.
What are the key properties of N-(2,2,2-trifluoroethyl)pyridin-3-amine?
N-(2,2,2-trifluoroethyl)pyridin-3-amine has a molecular weight of 176.14 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)pyridin-3-amine is sourced from PubChem (CID 12702857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).