cyclohexyl (2R)-2-(trifluoromethyl)oxirane-2-carboxylate

C10H13F3O3 — CID 87994580

IUPACcyclohexyl (2R)-2-(trifluoromethyl)oxirane-2-carboxylate
SMILESO=C(OC1CCCCC1)[C@@]1(C(F)(F)F)CO1
InChIInChI=1S/C10H13F3O3/c11-10(12,13)9(6-15-9)8(14)16-7-4-2-1-3-5-7/h7H,1-6H2/t9-/m1/s1
InChIKeyJBHVIABZCJJGEG-SECBINFHSA-N
MW238.20 g/mol
LogP2.19
Rot. Bonds2

About cyclohexyl (2R)-2-(trifluoromethyl)oxirane-2-carboxylate

cyclohexyl (2R)-2-(trifluoromethyl)oxirane-2-carboxylate (PubChem CID 87994580) has the molecular formula C10H13F3O3 and a molecular weight of 238.20 g/mol. Its IUPAC name is cyclohexyl (2R)-2-(trifluoromethyl)oxirane-2-carboxylate.

Molecular Properties

Compound Namecyclohexyl (2R)-2-(trifluoromethyl)oxirane-2-carboxylate
PubChem CID87994580
Molecular FormulaC10H13F3O3
Molecular Weight238.20 g/mol
Exact Mass238.08
IUPAC Namecyclohexyl (2R)-2-(trifluoromethyl)oxirane-2-carboxylate
SMILESO=C(OC1CCCCC1)[C@@]1(C(F)(F)F)CO1
InChIInChI=1S/C10H13F3O3/c11-10(12,13)9(6-15-9)8(14)16-7-4-2-1-3-5-7/h7H,1-6H2/t9-/m1/s1
InChIKeyJBHVIABZCJJGEG-SECBINFHSA-N
XLogP2.19
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(2-cyclohexylethyl)-2-(trifluoromethyl)oxirane-2-carboxamide
CID 87994237
cycloheptyl 2-bromo-2,2-difluoroacetate
CID 135281025
cycloheptadecyl acetate
CID 57215828
dicyclohexyl pentanedioate
CID 15593941
cyclopentyl 1-formyloxycyclobutane-1-carboxylate
CID 90746648
dicyclononyl carbonate
CID 139618210
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
azane;cyclohexyl acetate
CID 174554221
cyclohexyl acetate;dihydrochloride
CID 140971070
1-cyclohexyloxycarbonylcyclopentane-1-carboxylic acid
CID 90449500
cycloheptyl hydrogen carbonate
CID 23179405
(6-acetyloxycyclodecyl) acetate
CID 539578

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (2R)-2-(trifluoromethyl)oxirane-2-carboxylate?
The IUPAC name of cyclohexyl (2R)-2-(trifluoromethyl)oxirane-2-carboxylate (CID 87994580) is cyclohexyl (2R)-2-(trifluoromethyl)oxirane-2-carboxylate.
What is the SMILES notation for cyclohexyl (2R)-2-(trifluoromethyl)oxirane-2-carboxylate?
The canonical SMILES for cyclohexyl (2R)-2-(trifluoromethyl)oxirane-2-carboxylate is O=C(OC1CCCCC1)[C@@]1(C(F)(F)F)CO1.
What is the InChIKey of cyclohexyl (2R)-2-(trifluoromethyl)oxirane-2-carboxylate?
The InChIKey is JBHVIABZCJJGEG-SECBINFHSA-N. The full InChI is InChI=1S/C10H13F3O3/c11-10(12,13)9(6-15-9)8(14)16-7-4-2-1-3-5-7/h7H,1-6H2/t9-/m1/s1.
What are the key properties of cyclohexyl (2R)-2-(trifluoromethyl)oxirane-2-carboxylate?
cyclohexyl (2R)-2-(trifluoromethyl)oxirane-2-carboxylate has a molecular weight of 238.20 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (2R)-2-(trifluoromethyl)oxirane-2-carboxylate is sourced from PubChem (CID 87994580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).