2-[2,2-bis(4-fluorophenyl)ethyl]-2-ethyloxirane

C18H18F2O — CID 21411077

IUPAC2-[2,2-bis(4-fluorophenyl)ethyl]-2-ethyloxirane
SMILESCCC1(CC(c2ccc(F)cc2)c2ccc(F)cc2)CO1
InChIInChI=1S/C18H18F2O/c1-2-18(12-21-18)11-17(13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h3-10,17H,2,11-12H2,1H3
InChIKeyPPQWASPVRVXHRP-UHFFFAOYSA-N
MW288.34 g/mol
LogP4.67
Rot. Bonds5

About 2-[2,2-bis(4-fluorophenyl)ethyl]-2-ethyloxirane

2-[2,2-bis(4-fluorophenyl)ethyl]-2-ethyloxirane (PubChem CID 21411077) has the molecular formula C18H18F2O and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[2,2-bis(4-fluorophenyl)ethyl]-2-ethyloxirane.

Molecular Properties

Compound Name2-[2,2-bis(4-fluorophenyl)ethyl]-2-ethyloxirane
PubChem CID21411077
Molecular FormulaC18H18F2O
Molecular Weight288.34 g/mol
Exact Mass288.13
IUPAC Name2-[2,2-bis(4-fluorophenyl)ethyl]-2-ethyloxirane
SMILESCCC1(CC(c2ccc(F)cc2)c2ccc(F)cc2)CO1
InChIInChI=1S/C18H18F2O/c1-2-18(12-21-18)11-17(13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h3-10,17H,2,11-12H2,1H3
InChIKeyPPQWASPVRVXHRP-UHFFFAOYSA-N
XLogP4.67
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 54.67
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 2-[2,2-bis(4-fluorophenyl)ethyl]-2-ethyloxirane?
The IUPAC name of 2-[2,2-bis(4-fluorophenyl)ethyl]-2-ethyloxirane (CID 21411077) is 2-[2,2-bis(4-fluorophenyl)ethyl]-2-ethyloxirane.
What is the SMILES notation for 2-[2,2-bis(4-fluorophenyl)ethyl]-2-ethyloxirane?
The canonical SMILES for 2-[2,2-bis(4-fluorophenyl)ethyl]-2-ethyloxirane is CCC1(CC(c2ccc(F)cc2)c2ccc(F)cc2)CO1.
What is the InChIKey of 2-[2,2-bis(4-fluorophenyl)ethyl]-2-ethyloxirane?
The InChIKey is PPQWASPVRVXHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2O/c1-2-18(12-21-18)11-17(13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h3-10,17H,2,11-12H2,1H3.
What are the key properties of 2-[2,2-bis(4-fluorophenyl)ethyl]-2-ethyloxirane?
2-[2,2-bis(4-fluorophenyl)ethyl]-2-ethyloxirane has a molecular weight of 288.34 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(4-fluorophenyl)ethyl]-2-ethyloxirane is sourced from PubChem (CID 21411077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).