[2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]methanamine

C7H9F3N2 — CID 158018765

IUPAC[2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]methanamine
SMILESNCC1=CCC(C(F)(F)F)N=C1
InChIInChI=1S/C7H9F3N2/c8-7(9,10)6-2-1-5(3-11)4-12-6/h1,4,6H,2-3,11H2
InChIKeyFFUPVLBIVVLPAN-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.28
Rot. Bonds1

About [2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]methanamine

[2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]methanamine (PubChem CID 158018765) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is [2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]methanamine
PubChem CID158018765
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name[2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]methanamine
SMILESNCC1=CCC(C(F)(F)F)N=C1
InChIInChI=1S/C7H9F3N2/c8-7(9,10)6-2-1-5(3-11)4-12-6/h1,4,6H,2-3,11H2
InChIKeyFFUPVLBIVVLPAN-UHFFFAOYSA-N
XLogP1.28
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]methanamine?
The IUPAC name of [2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]methanamine (CID 158018765) is [2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]methanamine.
What is the SMILES notation for [2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]methanamine?
The canonical SMILES for [2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]methanamine is NCC1=CCC(C(F)(F)F)N=C1.
What is the InChIKey of [2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]methanamine?
The InChIKey is FFUPVLBIVVLPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c8-7(9,10)6-2-1-5(3-11)4-12-6/h1,4,6H,2-3,11H2.
What are the key properties of [2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]methanamine?
[2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]methanamine has a molecular weight of 178.16 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]methanamine is sourced from PubChem (CID 158018765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).