2,2-bis(1-fluoroethyl)oxirane

C6H10F2O — CID 18512428

IUPAC2,2-bis(1-fluoroethyl)oxirane
SMILESCC(F)C1(C(C)F)CO1
InChIInChI=1S/C6H10F2O/c1-4(7)6(3-9-6)5(2)8/h4-5H,3H2,1-2H3
InChIKeyZJMRHJISLNKRMM-UHFFFAOYSA-N
MW136.14 g/mol
LogP1.47
Rot. Bonds2

About 2,2-bis(1-fluoroethyl)oxirane

2,2-bis(1-fluoroethyl)oxirane (PubChem CID 18512428) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is 2,2-bis(1-fluoroethyl)oxirane.

Molecular Properties

Compound Name2,2-bis(1-fluoroethyl)oxirane
PubChem CID18512428
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name2,2-bis(1-fluoroethyl)oxirane
SMILESCC(F)C1(C(C)F)CO1
InChIInChI=1S/C6H10F2O/c1-4(7)6(3-9-6)5(2)8/h4-5H,3H2,1-2H3
InChIKeyZJMRHJISLNKRMM-UHFFFAOYSA-N
XLogP1.47
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 51.47
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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Related Compounds

2,2-Diethyloxirane
CID 295971
2-Ethyl-2-(trifluoromethyl)oxirane
CID 23233498
2-Methyl-2-(2,2,2-trifluoroethyl)oxirane
CID 14985017
2-(1-Fluoroethyl)-2-propan-2-yloxirane
CID 21130155
2-Ethyl-2-(fluoromethyl)oxirane
CID 126514113
2-(2-Fluoropropyl)-2-methyloxirane
CID 140020132
2-Ethyl-2-(2-fluoropropyl)oxirane
CID 140020136
2-Ethyl-2-(2-fluoroethyl)oxirane
CID 140020142
2-(2-Fluoroethyl)-2-methyloxirane
CID 140020143
3-Fluoro-2-methyl-2-propyloxirane
CID 141187896
2-Ethyl-3-fluoro-2-methyloxirane
CID 141287945
2-Methyl-2-(3,3,3-trifluoropropyl)oxirane
CID 150700603

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(1-fluoroethyl)oxirane?
The IUPAC name of 2,2-bis(1-fluoroethyl)oxirane (CID 18512428) is 2,2-bis(1-fluoroethyl)oxirane.
What is the SMILES notation for 2,2-bis(1-fluoroethyl)oxirane?
The canonical SMILES for 2,2-bis(1-fluoroethyl)oxirane is CC(F)C1(C(C)F)CO1.
What is the InChIKey of 2,2-bis(1-fluoroethyl)oxirane?
The InChIKey is ZJMRHJISLNKRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c1-4(7)6(3-9-6)5(2)8/h4-5H,3H2,1-2H3.
What are the key properties of 2,2-bis(1-fluoroethyl)oxirane?
2,2-bis(1-fluoroethyl)oxirane has a molecular weight of 136.14 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(1-fluoroethyl)oxirane is sourced from PubChem (CID 18512428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).