2-naphthalen-2-yloxy-2-(trifluoromethyl)oxirane

C13H9F3O2 — CID 14140924

IUPAC2-naphthalen-2-yloxy-2-(trifluoromethyl)oxirane
SMILESFC(F)(F)C1(Oc2ccc3ccccc3c2)CO1
InChIInChI=1S/C13H9F3O2/c14-13(15,16)12(8-17-12)18-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2
InChIKeyDBTBOURPJORUJS-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.51
Rot. Bonds2

About 2-naphthalen-2-yloxy-2-(trifluoromethyl)oxirane

2-naphthalen-2-yloxy-2-(trifluoromethyl)oxirane (PubChem CID 14140924) has the molecular formula C13H9F3O2 and a molecular weight of 254.21 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-2-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-2-(trifluoromethyl)oxirane
PubChem CID14140924
Molecular FormulaC13H9F3O2
Molecular Weight254.21 g/mol
Exact Mass254.06
IUPAC Name2-naphthalen-2-yloxy-2-(trifluoromethyl)oxirane
SMILESFC(F)(F)C1(Oc2ccc3ccccc3c2)CO1
InChIInChI=1S/C13H9F3O2/c14-13(15,16)12(8-17-12)18-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2
InChIKeyDBTBOURPJORUJS-UHFFFAOYSA-N
XLogP3.51
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 53.51
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-(2,2,2-trifluoroethoxy)naphthalene
CID 21269180
2-hydroxy-5,5-dimethyl-2-naphthalen-2-yloxy-1,3,2-dioxaphosphinan-2-ium
CID 174787192
2-naphthalen-2-yloxy-5-(trifluoromethyl)pyrimidine
CID 154226317
2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene
CID 135017313
2,2-dimethyloxirane;naphthalene
CID 175358693
3-naphthalen-2-yl-3-(trifluoromethyl)diazirine
CID 118481904
(2-methyloxiran-2-yl)methyl naphthalen-2-yl sulfite
CID 20710235
2-(7,7,7-trifluoroheptoxy)naphthalene
CID 134838643
2-phenylsulfanyloxynaphthalene
CID 102594920
bromo(trifluoro)methane;naphthalene
CID 159657697
3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 2742980
(5R)-3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 690721

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-2-(trifluoromethyl)oxirane?
The IUPAC name of 2-naphthalen-2-yloxy-2-(trifluoromethyl)oxirane (CID 14140924) is 2-naphthalen-2-yloxy-2-(trifluoromethyl)oxirane.
What is the SMILES notation for 2-naphthalen-2-yloxy-2-(trifluoromethyl)oxirane?
The canonical SMILES for 2-naphthalen-2-yloxy-2-(trifluoromethyl)oxirane is FC(F)(F)C1(Oc2ccc3ccccc3c2)CO1.
What is the InChIKey of 2-naphthalen-2-yloxy-2-(trifluoromethyl)oxirane?
The InChIKey is DBTBOURPJORUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O2/c14-13(15,16)12(8-17-12)18-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2.
What are the key properties of 2-naphthalen-2-yloxy-2-(trifluoromethyl)oxirane?
2-naphthalen-2-yloxy-2-(trifluoromethyl)oxirane has a molecular weight of 254.21 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-2-(trifluoromethyl)oxirane is sourced from PubChem (CID 14140924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).