3-(trifluoromethyl)-2,5-dihydropyridin-2-amine

C6H7F3N2 — CID 91583699

IUPAC3-(trifluoromethyl)-2,5-dihydropyridin-2-amine
SMILESNC1N=CCC=C1C(F)(F)F
InChIInChI=1S/C6H7F3N2/c7-6(8,9)4-2-1-3-11-5(4)10/h2-3,5H,1,10H2
InChIKeySVNMFKBAUFCMAN-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.23
Rot. Bonds

About 3-(trifluoromethyl)-2,5-dihydropyridin-2-amine

3-(trifluoromethyl)-2,5-dihydropyridin-2-amine (PubChem CID 91583699) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 3-(trifluoromethyl)-2,5-dihydropyridin-2-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)-2,5-dihydropyridin-2-amine
PubChem CID91583699
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name3-(trifluoromethyl)-2,5-dihydropyridin-2-amine
SMILESNC1N=CCC=C1C(F)(F)F
InChIInChI=1S/C6H7F3N2/c7-6(8,9)4-2-1-3-11-5(4)10/h2-3,5H,1,10H2
InChIKeySVNMFKBAUFCMAN-UHFFFAOYSA-N
XLogP1.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-2,5-dihydropyridin-2-amine?
The IUPAC name of 3-(trifluoromethyl)-2,5-dihydropyridin-2-amine (CID 91583699) is 3-(trifluoromethyl)-2,5-dihydropyridin-2-amine.
What is the SMILES notation for 3-(trifluoromethyl)-2,5-dihydropyridin-2-amine?
The canonical SMILES for 3-(trifluoromethyl)-2,5-dihydropyridin-2-amine is NC1N=CCC=C1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)-2,5-dihydropyridin-2-amine?
The InChIKey is SVNMFKBAUFCMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c7-6(8,9)4-2-1-3-11-5(4)10/h2-3,5H,1,10H2.
What are the key properties of 3-(trifluoromethyl)-2,5-dihydropyridin-2-amine?
3-(trifluoromethyl)-2,5-dihydropyridin-2-amine has a molecular weight of 164.13 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-2,5-dihydropyridin-2-amine is sourced from PubChem (CID 91583699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).