(3R)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-5-amine

C7H9F3N2 — CID 162581739

IUPAC(3R)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-5-amine
SMILESCC1N=CC(N)=C[C@H]1C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-4-6(7(8,9)10)2-5(11)3-12-4/h2-4,6H,11H2,1H3/t4?,6-/m1/s1
InChIKeyCHTXYPZPHGPVJR-BAFYGKSASA-N
MW178.16 g/mol
LogP1.48
Rot. Bonds

About (3R)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-5-amine

(3R)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-5-amine (PubChem CID 162581739) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is (3R)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-5-amine.

Molecular Properties

Compound Name(3R)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-5-amine
PubChem CID162581739
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name(3R)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-5-amine
SMILESCC1N=CC(N)=C[C@H]1C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-4-6(7(8,9)10)2-5(11)3-12-4/h2-4,6H,11H2,1H3/t4?,6-/m1/s1
InChIKeyCHTXYPZPHGPVJR-BAFYGKSASA-N
XLogP1.48
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-5-amine?
The IUPAC name of (3R)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-5-amine (CID 162581739) is (3R)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-5-amine.
What is the SMILES notation for (3R)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-5-amine?
The canonical SMILES for (3R)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-5-amine is CC1N=CC(N)=C[C@H]1C(F)(F)F.
What is the InChIKey of (3R)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-5-amine?
The InChIKey is CHTXYPZPHGPVJR-BAFYGKSASA-N. The full InChI is InChI=1S/C7H9F3N2/c1-4-6(7(8,9)10)2-5(11)3-12-4/h2-4,6H,11H2,1H3/t4?,6-/m1/s1.
What are the key properties of (3R)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-5-amine?
(3R)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-5-amine has a molecular weight of 178.16 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-5-amine is sourced from PubChem (CID 162581739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).