(2R,3R)-2-naphthalen-1-yl-3-(2,2,2-trifluoroethyl)oxirane

C14H11F3O — CID 164667032

IUPAC(2R,3R)-2-naphthalen-1-yl-3-(2,2,2-trifluoroethyl)oxirane
SMILESFC(F)(F)C[C@H]1O[C@@H]1c1cccc2ccccc12
InChIInChI=1S/C14H11F3O/c15-14(16,17)8-12-13(18-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-13H,8H2/t12-,13-/m1/s1
InChIKeyUNLLKRPIZYRMMC-CHWSQXEVSA-N
MW252.24 g/mol
LogP4.23
Rot. Bonds2

About (2R,3R)-2-naphthalen-1-yl-3-(2,2,2-trifluoroethyl)oxirane

(2R,3R)-2-naphthalen-1-yl-3-(2,2,2-trifluoroethyl)oxirane (PubChem CID 164667032) has the molecular formula C14H11F3O and a molecular weight of 252.24 g/mol. Its IUPAC name is (2R,3R)-2-naphthalen-1-yl-3-(2,2,2-trifluoroethyl)oxirane.

Molecular Properties

Compound Name(2R,3R)-2-naphthalen-1-yl-3-(2,2,2-trifluoroethyl)oxirane
PubChem CID164667032
Molecular FormulaC14H11F3O
Molecular Weight252.24 g/mol
Exact Mass252.08
IUPAC Name(2R,3R)-2-naphthalen-1-yl-3-(2,2,2-trifluoroethyl)oxirane
SMILESFC(F)(F)C[C@H]1O[C@@H]1c1cccc2ccccc12
InChIInChI=1S/C14H11F3O/c15-14(16,17)8-12-13(18-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-13H,8H2/t12-,13-/m1/s1
InChIKeyUNLLKRPIZYRMMC-CHWSQXEVSA-N
XLogP4.23
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-naphthalen-1-yl-3-(2,2,2-trifluoroethyl)oxirane?
The IUPAC name of (2R,3R)-2-naphthalen-1-yl-3-(2,2,2-trifluoroethyl)oxirane (CID 164667032) is (2R,3R)-2-naphthalen-1-yl-3-(2,2,2-trifluoroethyl)oxirane.
What is the SMILES notation for (2R,3R)-2-naphthalen-1-yl-3-(2,2,2-trifluoroethyl)oxirane?
The canonical SMILES for (2R,3R)-2-naphthalen-1-yl-3-(2,2,2-trifluoroethyl)oxirane is FC(F)(F)C[C@H]1O[C@@H]1c1cccc2ccccc12.
What is the InChIKey of (2R,3R)-2-naphthalen-1-yl-3-(2,2,2-trifluoroethyl)oxirane?
The InChIKey is UNLLKRPIZYRMMC-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H11F3O/c15-14(16,17)8-12-13(18-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-13H,8H2/t12-,13-/m1/s1.
What are the key properties of (2R,3R)-2-naphthalen-1-yl-3-(2,2,2-trifluoroethyl)oxirane?
(2R,3R)-2-naphthalen-1-yl-3-(2,2,2-trifluoroethyl)oxirane has a molecular weight of 252.24 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-naphthalen-1-yl-3-(2,2,2-trifluoroethyl)oxirane is sourced from PubChem (CID 164667032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).