(2R)-2-[2-(trifluoromethoxy)phenyl]oxirane

C9H7F3O2 — CID 83128862

IUPAC(2R)-2-[2-(trifluoromethoxy)phenyl]oxirane
SMILESFC(F)(F)Oc1ccccc1[C@@H]1CO1
InChIInChI=1S/C9H7F3O2/c10-9(11,12)14-7-4-2-1-3-6(7)8-5-13-8/h1-4,8H,5H2/t8-/m0/s1
InChIKeyVNCATRVNEJRGLD-QMMMGPOBSA-N
MW204.15 g/mol
LogP2.66
Rot. Bonds2

About (2R)-2-[2-(trifluoromethoxy)phenyl]oxirane

(2R)-2-[2-(trifluoromethoxy)phenyl]oxirane (PubChem CID 83128862) has the molecular formula C9H7F3O2 and a molecular weight of 204.15 g/mol. Its IUPAC name is (2R)-2-[2-(trifluoromethoxy)phenyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[2-(trifluoromethoxy)phenyl]oxirane
PubChem CID83128862
Molecular FormulaC9H7F3O2
Molecular Weight204.15 g/mol
Exact Mass204.04
IUPAC Name(2R)-2-[2-(trifluoromethoxy)phenyl]oxirane
SMILESFC(F)(F)Oc1ccccc1[C@@H]1CO1
InChIInChI=1S/C9H7F3O2/c10-9(11,12)14-7-4-2-1-3-6(7)8-5-13-8/h1-4,8H,5H2/t8-/m0/s1
InChIKeyVNCATRVNEJRGLD-QMMMGPOBSA-N
XLogP2.66
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran
CID 141104992
(2R)-2-(2-methoxyphenyl)oxirane
CID 27776035
(3S)-3-[2-(trifluoromethoxy)phenyl]morpholine
CID 171193298
4-[2-(trifluoromethoxy)phenyl]piperidine
CID 58808055
2,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 81415007
3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine
CID 64505049
1-[2-(trifluoromethoxy)phenyl]-1,2-dihydroisoquinoline
CID 152694944
3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-one
CID 64521913
2-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidine
CID 174787817
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
2-[2-[2-(trifluoromethoxy)phenyl]cyclobutyl]pyridine
CID 173469072
1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 43150354

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(trifluoromethoxy)phenyl]oxirane?
The IUPAC name of (2R)-2-[2-(trifluoromethoxy)phenyl]oxirane (CID 83128862) is (2R)-2-[2-(trifluoromethoxy)phenyl]oxirane.
What is the SMILES notation for (2R)-2-[2-(trifluoromethoxy)phenyl]oxirane?
The canonical SMILES for (2R)-2-[2-(trifluoromethoxy)phenyl]oxirane is FC(F)(F)Oc1ccccc1[C@@H]1CO1.
What is the InChIKey of (2R)-2-[2-(trifluoromethoxy)phenyl]oxirane?
The InChIKey is VNCATRVNEJRGLD-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H7F3O2/c10-9(11,12)14-7-4-2-1-3-6(7)8-5-13-8/h1-4,8H,5H2/t8-/m0/s1.
What are the key properties of (2R)-2-[2-(trifluoromethoxy)phenyl]oxirane?
(2R)-2-[2-(trifluoromethoxy)phenyl]oxirane has a molecular weight of 204.15 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(trifluoromethoxy)phenyl]oxirane is sourced from PubChem (CID 83128862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).