2-(2,4-dichlorophenyl)-2-(1-fluoroethyl)oxirane

C10H9Cl2FO — CID 86098371

IUPAC2-(2,4-dichlorophenyl)-2-(1-fluoroethyl)oxirane
SMILESCC(F)C1(c2ccc(Cl)cc2Cl)CO1
InChIInChI=1S/C10H9Cl2FO/c1-6(13)10(5-14-10)8-3-2-7(11)4-9(8)12/h2-4,6H,5H2,1H3
InChIKeyBVHPIOXFLRYWAF-UHFFFAOYSA-N
MW235.09 g/mol
LogP3.58
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-2-(1-fluoroethyl)oxirane

2-(2,4-dichlorophenyl)-2-(1-fluoroethyl)oxirane (PubChem CID 86098371) has the molecular formula C10H9Cl2FO and a molecular weight of 235.09 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-(1-fluoroethyl)oxirane.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-(1-fluoroethyl)oxirane
PubChem CID86098371
Molecular FormulaC10H9Cl2FO
Molecular Weight235.09 g/mol
Exact Mass234.00
IUPAC Name2-(2,4-dichlorophenyl)-2-(1-fluoroethyl)oxirane
SMILESCC(F)C1(c2ccc(Cl)cc2Cl)CO1
InChIInChI=1S/C10H9Cl2FO/c1-6(13)10(5-14-10)8-3-2-7(11)4-9(8)12/h2-4,6H,5H2,1H3
InChIKeyBVHPIOXFLRYWAF-UHFFFAOYSA-N
XLogP3.58
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.09
LogP ≤ 53.58
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-(2,4-dichlorophenyl)-2-(1-fluoroethyl)oxirane?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-(1-fluoroethyl)oxirane (CID 86098371) is 2-(2,4-dichlorophenyl)-2-(1-fluoroethyl)oxirane.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-(1-fluoroethyl)oxirane?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-(1-fluoroethyl)oxirane is CC(F)C1(c2ccc(Cl)cc2Cl)CO1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-(1-fluoroethyl)oxirane?
The InChIKey is BVHPIOXFLRYWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2FO/c1-6(13)10(5-14-10)8-3-2-7(11)4-9(8)12/h2-4,6H,5H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-2-(1-fluoroethyl)oxirane?
2-(2,4-dichlorophenyl)-2-(1-fluoroethyl)oxirane has a molecular weight of 235.09 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-(1-fluoroethyl)oxirane is sourced from PubChem (CID 86098371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).