N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine;molecular hydrogen

C7H11F3N2 — CID 142135166

IUPACN-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine;molecular hydrogen
SMILESCNC1=CC=C(C(F)(F)F)CN1.[H][H]
InChIInChI=1S/C7H9F3N2.H2/c1-11-6-3-2-5(4-12-6)7(8,9)10;/h2-3,11-12H,4H2,1H3;1H
InChIKeyKGBNRHNKTYTZHD-UHFFFAOYSA-N
MW180.17 g/mol
LogP1.39
Rot. Bonds1

About N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine;molecular hydrogen

N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine;molecular hydrogen (PubChem CID 142135166) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine;molecular hydrogen.

Molecular Properties

Compound NameN-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine;molecular hydrogen
PubChem CID142135166
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC NameN-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine;molecular hydrogen
SMILESCNC1=CC=C(C(F)(F)F)CN1.[H][H]
InChIInChI=1S/C7H9F3N2.H2/c1-11-6-3-2-5(4-12-6)7(8,9)10;/h2-3,11-12H,4H2,1H3;1H
InChIKeyKGBNRHNKTYTZHD-UHFFFAOYSA-N
XLogP1.39
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Trifluoromethyl-1,2-dihydro-pyridin-2-ylamine
CID 59443902
N-ethyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine
CID 137468108
6-N-propan-2-yl-3-(trifluoromethyl)-1,2-dihydropyridine-5,6-diamine
CID 137468167
N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine
CID 145415463
N'-[(2E)-4-fluoro-2-methylpenta-2,4-dienyl]-N-methylmethanediamine
CID 156189663
N-ethyl-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine
CID 173058106
N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine
CID 142135167
3,5-difluoro-N,1-dimethyl-2H-pyridin-6-amine
CID 144864764
6-Chloro-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine
CID 162607041
N-ethyl-3-methyl-1,2-dihydropyridin-6-amine
CID 89313734
3-Methyl-1,2-dihydropyridin-6-amine
CID 117900401
N,1,3-trimethyl-2H-pyridin-6-amine
CID 139310461

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine;molecular hydrogen?
The IUPAC name of N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine;molecular hydrogen (CID 142135166) is N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine;molecular hydrogen.
What is the SMILES notation for N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine;molecular hydrogen?
The canonical SMILES for N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine;molecular hydrogen is CNC1=CC=C(C(F)(F)F)CN1.[H][H].
What is the InChIKey of N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine;molecular hydrogen?
The InChIKey is KGBNRHNKTYTZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2.H2/c1-11-6-3-2-5(4-12-6)7(8,9)10;/h2-3,11-12H,4H2,1H3;1H.
What are the key properties of N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine;molecular hydrogen?
N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine;molecular hydrogen has a molecular weight of 180.17 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine;molecular hydrogen is sourced from PubChem (CID 142135166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).