(2S,4R)-2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine

C7H11F3N2 — CID 141489506

IUPAC(2S,4R)-2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESC[C@H]1C[C@@H](C(F)(F)F)CC(N)=N1
InChIInChI=1S/C7H11F3N2/c1-4-2-5(7(8,9)10)3-6(11)12-4/h4-5H,2-3H2,1H3,(H2,11,12)/t4-,5+/m0/s1
InChIKeySJMWTWSZNIISCZ-CRCLSJGQSA-N
MW180.17 g/mol
LogP1.70
Rot. Bonds

About (2S,4R)-2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine

(2S,4R)-2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 141489506) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is (2S,4R)-2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound Name(2S,4R)-2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID141489506
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name(2S,4R)-2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESC[C@H]1C[C@@H](C(F)(F)F)CC(N)=N1
InChIInChI=1S/C7H11F3N2/c1-4-2-5(7(8,9)10)3-6(11)12-4/h4-5H,2-3H2,1H3,(H2,11,12)/t4-,5+/m0/s1
InChIKeySJMWTWSZNIISCZ-CRCLSJGQSA-N
XLogP1.70
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of (2S,4R)-2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 141489506) is (2S,4R)-2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for (2S,4R)-2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for (2S,4R)-2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine is C[C@H]1C[C@@H](C(F)(F)F)CC(N)=N1.
What is the InChIKey of (2S,4R)-2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is SJMWTWSZNIISCZ-CRCLSJGQSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-4-2-5(7(8,9)10)3-6(11)12-4/h4-5H,2-3H2,1H3,(H2,11,12)/t4-,5+/m0/s1.
What are the key properties of (2S,4R)-2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine?
(2S,4R)-2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 180.17 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 141489506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).