(2R,3S)-2,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidine

C9H16F3N — CID 152872015

IUPAC(2R,3S)-2,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESC[C@@H]1[C@@H](C)CCCN1CC(F)(F)F
InChIInChI=1S/C9H16F3N/c1-7-4-3-5-13(8(7)2)6-9(10,11)12/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyTZOYJQXVOOGYAQ-JGVFFNPUSA-N
MW195.23 g/mol
LogP2.67
Rot. Bonds1

About (2R,3S)-2,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidine

(2R,3S)-2,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 152872015) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is (2R,3S)-2,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name(2R,3S)-2,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID152872015
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name(2R,3S)-2,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESC[C@@H]1[C@@H](C)CCCN1CC(F)(F)F
InChIInChI=1S/C9H16F3N/c1-7-4-3-5-13(8(7)2)6-9(10,11)12/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyTZOYJQXVOOGYAQ-JGVFFNPUSA-N
XLogP2.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of (2R,3S)-2,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidine (CID 152872015) is (2R,3S)-2,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for (2R,3S)-2,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for (2R,3S)-2,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidine is C[C@@H]1[C@@H](C)CCCN1CC(F)(F)F.
What is the InChIKey of (2R,3S)-2,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is TZOYJQXVOOGYAQ-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H16F3N/c1-7-4-3-5-13(8(7)2)6-9(10,11)12/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (2R,3S)-2,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidine?
(2R,3S)-2,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 195.23 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 152872015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).