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

C6H7F3N2 — CID 138711317

IUPAC2-(trifluoromethyl)-3,4-dihydropyridin-5-amine
SMILESNC1=CN=C(C(F)(F)F)CC1
InChIInChI=1S/C6H7F3N2/c7-6(8,9)5-2-1-4(10)3-11-5/h3H,1-2,10H2
InChIKeyUYYYOGJKRDKBOT-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.58
Rot. Bonds

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

2-(trifluoromethyl)-3,4-dihydropyridin-5-amine (PubChem CID 138711317) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 2-(trifluoromethyl)-3,4-dihydropyridin-5-amine.

Molecular Properties

Compound Name2-(trifluoromethyl)-3,4-dihydropyridin-5-amine
PubChem CID138711317
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name2-(trifluoromethyl)-3,4-dihydropyridin-5-amine
SMILESNC1=CN=C(C(F)(F)F)CC1
InChIInChI=1S/C6H7F3N2/c7-6(8,9)5-2-1-4(10)3-11-5/h3H,1-2,10H2
InChIKeyUYYYOGJKRDKBOT-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-3,4-dihydropyridin-5-amine?
The IUPAC name of 2-(trifluoromethyl)-3,4-dihydropyridin-5-amine (CID 138711317) is 2-(trifluoromethyl)-3,4-dihydropyridin-5-amine.
What is the SMILES notation for 2-(trifluoromethyl)-3,4-dihydropyridin-5-amine?
The canonical SMILES for 2-(trifluoromethyl)-3,4-dihydropyridin-5-amine is NC1=CN=C(C(F)(F)F)CC1.
What is the InChIKey of 2-(trifluoromethyl)-3,4-dihydropyridin-5-amine?
The InChIKey is UYYYOGJKRDKBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c7-6(8,9)5-2-1-4(10)3-11-5/h3H,1-2,10H2.
What are the key properties of 2-(trifluoromethyl)-3,4-dihydropyridin-5-amine?
2-(trifluoromethyl)-3,4-dihydropyridin-5-amine has a molecular weight of 164.13 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-3,4-dihydropyridin-5-amine is sourced from PubChem (CID 138711317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).