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

C6H7F3N2 — CID 143402600

IUPAC5-(trifluoromethyl)-2,3-dihydropyridin-4-amine
SMILESNC1=C(C(F)(F)F)C=NCC1
InChIInChI=1S/C6H7F3N2/c7-6(8,9)4-3-11-2-1-5(4)10/h3H,1-2,10H2
InChIKeyFPGSSXHTGOGVPR-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.24
Rot. Bonds

About 5-(trifluoromethyl)-2,3-dihydropyridin-4-amine

5-(trifluoromethyl)-2,3-dihydropyridin-4-amine (PubChem CID 143402600) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2,3-dihydropyridin-4-amine.

Molecular Properties

Compound Name5-(trifluoromethyl)-2,3-dihydropyridin-4-amine
PubChem CID143402600
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name5-(trifluoromethyl)-2,3-dihydropyridin-4-amine
SMILESNC1=C(C(F)(F)F)C=NCC1
InChIInChI=1S/C6H7F3N2/c7-6(8,9)4-3-11-2-1-5(4)10/h3H,1-2,10H2
InChIKeyFPGSSXHTGOGVPR-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

5-(Fluoromethyl)-2,3-dihydropyridin-4-amine
CID 129146164
(Z)-5,5,5-trifluoro-3-methanimidoylpent-2-en-2-amine
CID 145695983
(Z)-1,1,1-trifluoro-3-(methyliminomethyl)pent-2-en-2-amine
CID 170414993
1,1-Difluoro-3-methanimidoylpent-2-en-2-amine
CID 173845776
1,1,1-Trifluoro-3-(methyliminomethyl)pent-2-en-2-amine
CID 174152874

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2,3-dihydropyridin-4-amine?
The IUPAC name of 5-(trifluoromethyl)-2,3-dihydropyridin-4-amine (CID 143402600) is 5-(trifluoromethyl)-2,3-dihydropyridin-4-amine.
What is the SMILES notation for 5-(trifluoromethyl)-2,3-dihydropyridin-4-amine?
The canonical SMILES for 5-(trifluoromethyl)-2,3-dihydropyridin-4-amine is NC1=C(C(F)(F)F)C=NCC1.
What is the InChIKey of 5-(trifluoromethyl)-2,3-dihydropyridin-4-amine?
The InChIKey is FPGSSXHTGOGVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c7-6(8,9)4-3-11-2-1-5(4)10/h3H,1-2,10H2.
What are the key properties of 5-(trifluoromethyl)-2,3-dihydropyridin-4-amine?
5-(trifluoromethyl)-2,3-dihydropyridin-4-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 5-(trifluoromethyl)-2,3-dihydropyridin-4-amine is sourced from PubChem (CID 143402600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).