4-(trifluoromethyl)-2,3-dihydropyridin-6-amine

C6H7F3N2 — CID 162590833

IUPAC4-(trifluoromethyl)-2,3-dihydropyridin-6-amine
SMILESNC1=NCCC(C(F)(F)F)=C1
InChIInChI=1S/C6H7F3N2/c7-6(8,9)4-1-2-11-5(10)3-4/h3H,1-2H2,(H2,10,11)
InChIKeyNYFVRZZJVYMXMJ-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.24
Rot. Bonds

About 4-(trifluoromethyl)-2,3-dihydropyridin-6-amine

4-(trifluoromethyl)-2,3-dihydropyridin-6-amine (PubChem CID 162590833) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2,3-dihydropyridin-6-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)-2,3-dihydropyridin-6-amine
PubChem CID162590833
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name4-(trifluoromethyl)-2,3-dihydropyridin-6-amine
SMILESNC1=NCCC(C(F)(F)F)=C1
InChIInChI=1S/C6H7F3N2/c7-6(8,9)4-1-2-11-5(10)3-4/h3H,1-2H2,(H2,10,11)
InChIKeyNYFVRZZJVYMXMJ-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-1,2,5,6-tetrahydropyridine-2-imine
CID 9793827
2-(Trifluoromethyl)-2,3-dihydropyridin-6-amine
CID 67555171
3-(Trifluoromethyl)-2,5-dihydropyridin-6-amine
CID 90922399
3-(Trifluoromethyl)-2,3-dihydropyridin-6-amine
CID 118088109
4-(1-Fluoroethyl)-2,3-dihydropyridin-6-amine
CID 138660627
2-Fluoro-2,3-dihydropyridin-6-amine
CID 139521819
3-Fluoro-2,3-dihydropyridin-6-amine
CID 148033764
3,3-difluoro-2H-pyridin-6-amine
CID 149724206
4-(Trifluoromethyl)-2,3-dihydropyridin-2-amine
CID 146707980
4-(Difluoromethyl)-2,3-dihydropyridin-6-amine
CID 162594238
4-Methyl-1,2,5,6-tetrahydropyridin-2-imine hydrochloride
CID 9793826

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-2,3-dihydropyridin-6-amine?
The IUPAC name of 4-(trifluoromethyl)-2,3-dihydropyridin-6-amine (CID 162590833) is 4-(trifluoromethyl)-2,3-dihydropyridin-6-amine.
What is the SMILES notation for 4-(trifluoromethyl)-2,3-dihydropyridin-6-amine?
The canonical SMILES for 4-(trifluoromethyl)-2,3-dihydropyridin-6-amine is NC1=NCCC(C(F)(F)F)=C1.
What is the InChIKey of 4-(trifluoromethyl)-2,3-dihydropyridin-6-amine?
The InChIKey is NYFVRZZJVYMXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c7-6(8,9)4-1-2-11-5(10)3-4/h3H,1-2H2,(H2,10,11).
What are the key properties of 4-(trifluoromethyl)-2,3-dihydropyridin-6-amine?
4-(trifluoromethyl)-2,3-dihydropyridin-6-amine has a molecular weight of 164.13 g/mol, XLogP of 1.24, 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-6-amine is sourced from PubChem (CID 162590833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).