(2R,3S)-2-ethyl-3-(trifluoromethyl)piperidine

C8H14F3N — CID 166825155

IUPAC(2R,3S)-2-ethyl-3-(trifluoromethyl)piperidine
SMILESCC[C@H]1NCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-2-7-6(8(9,10)11)4-3-5-12-7/h6-7,12H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyHMKLCKRQAFOWDQ-NKWVEPMBSA-N
MW181.20 g/mol
LogP2.33
Rot. Bonds1

About (2R,3S)-2-ethyl-3-(trifluoromethyl)piperidine

(2R,3S)-2-ethyl-3-(trifluoromethyl)piperidine (PubChem CID 166825155) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is (2R,3S)-2-ethyl-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(2R,3S)-2-ethyl-3-(trifluoromethyl)piperidine
PubChem CID166825155
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name(2R,3S)-2-ethyl-3-(trifluoromethyl)piperidine
SMILESCC[C@H]1NCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-2-7-6(8(9,10)11)4-3-5-12-7/h6-7,12H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyHMKLCKRQAFOWDQ-NKWVEPMBSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-heptyl-3-(trifluoromethyl)piperidine
CID 106778365
2-(cyclopentylmethyl)-3-(trifluoromethyl)piperidine
CID 106778789
(2S,3R)-2-methyl-3-(trifluoromethyl)piperidine
CID 95366782
2-ethylpiperidin-3-ol;hydrochloride
CID 115013101
(2S,3S)-2,3-diethylpiperidine
CID 89278402
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(trifluoromethyl)piperidine
CID 106779970
2-(3-ethylcyclohexyl)-3-(trifluoromethyl)piperidine
CID 106779703
2,3-diethylpiperidine;ethane
CID 144800386
2,3-diethylpiperidine;propane
CID 143653277
tert-butyl N-[[(2R,3S)-3-(trifluoromethyl)piperidin-2-yl]methyl]carbamate
CID 154442495
(2S)-1-ethyl-2-(trifluoromethyl)cyclohexane
CID 135256943
N-[(3-methylpiperidin-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622061

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-ethyl-3-(trifluoromethyl)piperidine?
The IUPAC name of (2R,3S)-2-ethyl-3-(trifluoromethyl)piperidine (CID 166825155) is (2R,3S)-2-ethyl-3-(trifluoromethyl)piperidine.
What is the SMILES notation for (2R,3S)-2-ethyl-3-(trifluoromethyl)piperidine?
The canonical SMILES for (2R,3S)-2-ethyl-3-(trifluoromethyl)piperidine is CC[C@H]1NCCC[C@@H]1C(F)(F)F.
What is the InChIKey of (2R,3S)-2-ethyl-3-(trifluoromethyl)piperidine?
The InChIKey is HMKLCKRQAFOWDQ-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H14F3N/c1-2-7-6(8(9,10)11)4-3-5-12-7/h6-7,12H,2-5H2,1H3/t6-,7+/m0/s1.
What are the key properties of (2R,3S)-2-ethyl-3-(trifluoromethyl)piperidine?
(2R,3S)-2-ethyl-3-(trifluoromethyl)piperidine has a molecular weight of 181.20 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethyl-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 166825155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).