2-(1-chloroethyl)-3-(1-fluoroethyl)oxirane

C6H10ClFO — CID 21452192

IUPAC2-(1-chloroethyl)-3-(1-fluoroethyl)oxirane
SMILESCC(F)C1OC1C(C)Cl
InChIInChI=1S/C6H10ClFO/c1-3(7)5-6(9-5)4(2)8/h3-6H,1-2H3
InChIKeyYBXQJHLLSVFYTC-UHFFFAOYSA-N
MW152.60 g/mol
LogP1.74
Rot. Bonds2

About 2-(1-chloroethyl)-3-(1-fluoroethyl)oxirane

2-(1-chloroethyl)-3-(1-fluoroethyl)oxirane (PubChem CID 21452192) has the molecular formula C6H10ClFO and a molecular weight of 152.60 g/mol. Its IUPAC name is 2-(1-chloroethyl)-3-(1-fluoroethyl)oxirane.

Molecular Properties

Compound Name2-(1-chloroethyl)-3-(1-fluoroethyl)oxirane
PubChem CID21452192
Molecular FormulaC6H10ClFO
Molecular Weight152.60 g/mol
Exact Mass152.04
IUPAC Name2-(1-chloroethyl)-3-(1-fluoroethyl)oxirane
SMILESCC(F)C1OC1C(C)Cl
InChIInChI=1S/C6H10ClFO/c1-3(7)5-6(9-5)4(2)8/h3-6H,1-2H3
InChIKeyYBXQJHLLSVFYTC-UHFFFAOYSA-N
XLogP1.74
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.60
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(Chloromethyl)-3-(1-fluoroethyl)oxirane
CID 21452239
1-Chloro-3-fluoro-4-methoxyhexane
CID 54337393
2-Chloro-4-fluoro-3-methoxyhexane
CID 123343631
2-(1-Chlorobutyl)oxirane
CID 15212722
(2S,3S)-2-butyl-3-(chloromethyl)oxirane
CID 11355566
2-(1-Chloroethyl)-3-methyloxirane
CID 12203717
2-(2-Chloroethyl)-3-methyloxirane
CID 13023287
2-(Chloromethyl)-3-ethyloxirane
CID 13088757
2-Butyl-3-(chloromethyl)oxirane
CID 15212713
2-(Chloromethyl)-3-propyloxirane
CID 18324215
2-(1-Chloroethyl)-3-ethyloxirane
CID 20458542
2,3-Bis(2-chloroethyl)oxirane
CID 21447551

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-3-(1-fluoroethyl)oxirane?
The IUPAC name of 2-(1-chloroethyl)-3-(1-fluoroethyl)oxirane (CID 21452192) is 2-(1-chloroethyl)-3-(1-fluoroethyl)oxirane.
What is the SMILES notation for 2-(1-chloroethyl)-3-(1-fluoroethyl)oxirane?
The canonical SMILES for 2-(1-chloroethyl)-3-(1-fluoroethyl)oxirane is CC(F)C1OC1C(C)Cl.
What is the InChIKey of 2-(1-chloroethyl)-3-(1-fluoroethyl)oxirane?
The InChIKey is YBXQJHLLSVFYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClFO/c1-3(7)5-6(9-5)4(2)8/h3-6H,1-2H3.
What are the key properties of 2-(1-chloroethyl)-3-(1-fluoroethyl)oxirane?
2-(1-chloroethyl)-3-(1-fluoroethyl)oxirane has a molecular weight of 152.60 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-3-(1-fluoroethyl)oxirane is sourced from PubChem (CID 21452192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).