(2R)-N-(2-cyclohexylethyl)-2-(trifluoromethyl)oxirane-2-carboxamide

C12H18F3NO2 — CID 87994237

IUPAC(2R)-N-(2-cyclohexylethyl)-2-(trifluoromethyl)oxirane-2-carboxamide
SMILESO=C(NCCC1CCCCC1)[C@@]1(C(F)(F)F)CO1
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)11(8-18-11)10(17)16-7-6-9-4-2-1-3-5-9/h9H,1-8H2,(H,16,17)/t11-/m1/s1
InChIKeyLVMRKENPLNJLTC-LLVKDONJSA-N
MW265.27 g/mol
LogP2.40
Rot. Bonds4

About (2R)-N-(2-cyclohexylethyl)-2-(trifluoromethyl)oxirane-2-carboxamide

(2R)-N-(2-cyclohexylethyl)-2-(trifluoromethyl)oxirane-2-carboxamide (PubChem CID 87994237) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is (2R)-N-(2-cyclohexylethyl)-2-(trifluoromethyl)oxirane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-cyclohexylethyl)-2-(trifluoromethyl)oxirane-2-carboxamide
PubChem CID87994237
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC Name(2R)-N-(2-cyclohexylethyl)-2-(trifluoromethyl)oxirane-2-carboxamide
SMILESO=C(NCCC1CCCCC1)[C@@]1(C(F)(F)F)CO1
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)11(8-18-11)10(17)16-7-6-9-4-2-1-3-5-9/h9H,1-8H2,(H,16,17)/t11-/m1/s1
InChIKeyLVMRKENPLNJLTC-LLVKDONJSA-N
XLogP2.40
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide
CID 81179239
N-(2-cyclohexylethyl)-2-methylprop-2-enamide
CID 23044860
1-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 86811886
N-(2-cyclobutylethyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185450
methyl 1-(2-cyclohexylethylcarbamoyl)cyclopropane-1-carboxylate
CID 115184511
4-(2-cyclohexylethylamino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991351
N-(2-cyclohexylethyl)-3-methylpyrrolidine-3-carboxamide
CID 55164951
cyclohexyl (2R)-2-(trifluoromethyl)oxirane-2-carboxylate
CID 87994580
(2S)-N-(cyclohexylmethyl)-2-methyloxirane-2-carboxamide
CID 166779998
N-(2-cyclopentylethyl)cyclopentanecarboxamide
CID 110874283
N-(2-cyclohexylethyl)prop-1-en-2-amine
CID 143355441
N-(2-cyclobutylethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 104864523

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyclohexylethyl)-2-(trifluoromethyl)oxirane-2-carboxamide?
The IUPAC name of (2R)-N-(2-cyclohexylethyl)-2-(trifluoromethyl)oxirane-2-carboxamide (CID 87994237) is (2R)-N-(2-cyclohexylethyl)-2-(trifluoromethyl)oxirane-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-cyclohexylethyl)-2-(trifluoromethyl)oxirane-2-carboxamide?
The canonical SMILES for (2R)-N-(2-cyclohexylethyl)-2-(trifluoromethyl)oxirane-2-carboxamide is O=C(NCCC1CCCCC1)[C@@]1(C(F)(F)F)CO1.
What is the InChIKey of (2R)-N-(2-cyclohexylethyl)-2-(trifluoromethyl)oxirane-2-carboxamide?
The InChIKey is LVMRKENPLNJLTC-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18F3NO2/c13-12(14,15)11(8-18-11)10(17)16-7-6-9-4-2-1-3-5-9/h9H,1-8H2,(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-N-(2-cyclohexylethyl)-2-(trifluoromethyl)oxirane-2-carboxamide?
(2R)-N-(2-cyclohexylethyl)-2-(trifluoromethyl)oxirane-2-carboxamide has a molecular weight of 265.27 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-cyclohexylethyl)-2-(trifluoromethyl)oxirane-2-carboxamide is sourced from PubChem (CID 87994237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).