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

C6H7F3N2 — CID 146707980

IUPAC4-(trifluoromethyl)-2,3-dihydropyridin-2-amine
SMILESNC1CC(C(F)(F)F)=CC=N1
InChIInChI=1S/C6H7F3N2/c7-6(8,9)4-1-2-11-5(10)3-4/h1-2,5H,3,10H2
InChIKeyQZZIPHZYBDDHSN-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.23
Rot. Bonds

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

4-(trifluoromethyl)-2,3-dihydropyridin-2-amine (PubChem CID 146707980) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2,3-dihydropyridin-2-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)-2,3-dihydropyridin-2-amine
PubChem CID146707980
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name4-(trifluoromethyl)-2,3-dihydropyridin-2-amine
SMILESNC1CC(C(F)(F)F)=CC=N1
InChIInChI=1S/C6H7F3N2/c7-6(8,9)4-1-2-11-5(10)3-4/h1-2,5H,3,10H2
InChIKeyQZZIPHZYBDDHSN-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

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Related Compounds

3-(Trifluoromethyl)-2,5-dihydropyridin-2-amine
CID 91583699
4-(Trifluoromethyl)-2,3-dihydropyridine
CID 141152517
4-(Trifluoromethyl)-2,3-dihydropyridin-6-amine
CID 162590833
5-(Trifluoromethyl)-2,3-dihydropyridin-2-amine
CID 162564864
4-Methyl-2,3-dihydropyridin-2-amine
CID 124005381

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-2,3-dihydropyridin-2-amine?
The IUPAC name of 4-(trifluoromethyl)-2,3-dihydropyridin-2-amine (CID 146707980) is 4-(trifluoromethyl)-2,3-dihydropyridin-2-amine.
What is the SMILES notation for 4-(trifluoromethyl)-2,3-dihydropyridin-2-amine?
The canonical SMILES for 4-(trifluoromethyl)-2,3-dihydropyridin-2-amine is NC1CC(C(F)(F)F)=CC=N1.
What is the InChIKey of 4-(trifluoromethyl)-2,3-dihydropyridin-2-amine?
The InChIKey is QZZIPHZYBDDHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c7-6(8,9)4-1-2-11-5(10)3-4/h1-2,5H,3,10H2.
What are the key properties of 4-(trifluoromethyl)-2,3-dihydropyridin-2-amine?
4-(trifluoromethyl)-2,3-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 4-(trifluoromethyl)-2,3-dihydropyridin-2-amine is sourced from PubChem (CID 146707980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).