4-(trifluoromethyl)-3,4-dihydropyridin-2-amine

C6H7F3N2 — CID 162583865

IUPAC4-(trifluoromethyl)-3,4-dihydropyridin-2-amine
SMILESNC1=NC=CC(C(F)(F)F)C1
InChIInChI=1S/C6H7F3N2/c7-6(8,9)4-1-2-11-5(10)3-4/h1-2,4H,3H2,(H2,10,11)
InChIKeyRMXPQKLCEORDTN-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.44
Rot. Bonds

About 4-(trifluoromethyl)-3,4-dihydropyridin-2-amine

4-(trifluoromethyl)-3,4-dihydropyridin-2-amine (PubChem CID 162583865) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 4-(trifluoromethyl)-3,4-dihydropyridin-2-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)-3,4-dihydropyridin-2-amine
PubChem CID162583865
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name4-(trifluoromethyl)-3,4-dihydropyridin-2-amine
SMILESNC1=NC=CC(C(F)(F)F)C1
InChIInChI=1S/C6H7F3N2/c7-6(8,9)4-1-2-11-5(10)3-4/h1-2,4H,3H2,(H2,10,11)
InChIKeyRMXPQKLCEORDTN-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-3,4-dihydropyridin-2-amine?
The IUPAC name of 4-(trifluoromethyl)-3,4-dihydropyridin-2-amine (CID 162583865) is 4-(trifluoromethyl)-3,4-dihydropyridin-2-amine.
What is the SMILES notation for 4-(trifluoromethyl)-3,4-dihydropyridin-2-amine?
The canonical SMILES for 4-(trifluoromethyl)-3,4-dihydropyridin-2-amine is NC1=NC=CC(C(F)(F)F)C1.
What is the InChIKey of 4-(trifluoromethyl)-3,4-dihydropyridin-2-amine?
The InChIKey is RMXPQKLCEORDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c7-6(8,9)4-1-2-11-5(10)3-4/h1-2,4H,3H2,(H2,10,11).
What are the key properties of 4-(trifluoromethyl)-3,4-dihydropyridin-2-amine?
4-(trifluoromethyl)-3,4-dihydropyridin-2-amine has a molecular weight of 164.13 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-3,4-dihydropyridin-2-amine is sourced from PubChem (CID 162583865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).