(3S)-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]-2,3,4,5-tetrahydropyridine

C10H14F3N — CID 169113376

IUPAC(3S)-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]-2,3,4,5-tetrahydropyridine
SMILESC[C@H]1CCC(C2(C(F)(F)F)CC2)=NC1
InChIInChI=1S/C10H14F3N/c1-7-2-3-8(14-6-7)9(4-5-9)10(11,12)13/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyVPLBPHYXUHZNIZ-ZETCQYMHSA-N
MW205.22 g/mol
LogP3.20
Rot. Bonds1

About (3S)-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]-2,3,4,5-tetrahydropyridine

(3S)-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]-2,3,4,5-tetrahydropyridine (PubChem CID 169113376) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is (3S)-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name(3S)-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]-2,3,4,5-tetrahydropyridine
PubChem CID169113376
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name(3S)-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]-2,3,4,5-tetrahydropyridine
SMILESC[C@H]1CCC(C2(C(F)(F)F)CC2)=NC1
InChIInChI=1S/C10H14F3N/c1-7-2-3-8(14-6-7)9(4-5-9)10(11,12)13/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyVPLBPHYXUHZNIZ-ZETCQYMHSA-N
XLogP3.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]-2,3,4,5-tetrahydropyridine?
The IUPAC name of (3S)-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]-2,3,4,5-tetrahydropyridine (CID 169113376) is (3S)-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for (3S)-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]-2,3,4,5-tetrahydropyridine?
The canonical SMILES for (3S)-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]-2,3,4,5-tetrahydropyridine is C[C@H]1CCC(C2(C(F)(F)F)CC2)=NC1.
What is the InChIKey of (3S)-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]-2,3,4,5-tetrahydropyridine?
The InChIKey is VPLBPHYXUHZNIZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14F3N/c1-7-2-3-8(14-6-7)9(4-5-9)10(11,12)13/h7H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]-2,3,4,5-tetrahydropyridine?
(3S)-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]-2,3,4,5-tetrahydropyridine has a molecular weight of 205.22 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 169113376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).