N-ethyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine

C8H11F3N2 — CID 137468108

IUPACN-ethyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine
SMILESCCNC1=CC=C(C(F)(F)F)CN1
InChIInChI=1S/C8H11F3N2/c1-2-12-7-4-3-6(5-13-7)8(9,10)11/h3-4,12-13H,2,5H2,1H3
InChIKeyVSHRASQDLUDEFW-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.53
Rot. Bonds2

About N-ethyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine

N-ethyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine (PubChem CID 137468108) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is N-ethyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine.

Molecular Properties

Compound NameN-ethyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine
PubChem CID137468108
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC NameN-ethyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine
SMILESCCNC1=CC=C(C(F)(F)F)CN1
InChIInChI=1S/C8H11F3N2/c1-2-12-7-4-3-6(5-13-7)8(9,10)11/h3-4,12-13H,2,5H2,1H3
InChIKeyVSHRASQDLUDEFW-UHFFFAOYSA-N
XLogP1.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine?
The IUPAC name of N-ethyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine (CID 137468108) is N-ethyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine.
What is the SMILES notation for N-ethyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine?
The canonical SMILES for N-ethyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine is CCNC1=CC=C(C(F)(F)F)CN1.
What is the InChIKey of N-ethyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine?
The InChIKey is VSHRASQDLUDEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-2-12-7-4-3-6(5-13-7)8(9,10)11/h3-4,12-13H,2,5H2,1H3.
What are the key properties of N-ethyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine?
N-ethyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine has a molecular weight of 192.18 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine is sourced from PubChem (CID 137468108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).