2-[1-(2-chlorophenyl)ethenyl]-2-(2,4-difluorophenyl)oxirane

C16H11ClF2O — CID 10780024

IUPAC2-[1-(2-chlorophenyl)ethenyl]-2-(2,4-difluorophenyl)oxirane
SMILESC=C(c1ccccc1Cl)C1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C16H11ClF2O/c1-10(12-4-2-3-5-14(12)17)16(9-20-16)13-7-6-11(18)8-15(13)19/h2-8H,1,9H2
InChIKeyFMRNISMZDFOAJK-UHFFFAOYSA-N
MW292.71 g/mol
LogP4.56
Rot. Bonds3

About 2-[1-(2-chlorophenyl)ethenyl]-2-(2,4-difluorophenyl)oxirane

2-[1-(2-chlorophenyl)ethenyl]-2-(2,4-difluorophenyl)oxirane (PubChem CID 10780024) has the molecular formula C16H11ClF2O and a molecular weight of 292.71 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethenyl]-2-(2,4-difluorophenyl)oxirane.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethenyl]-2-(2,4-difluorophenyl)oxirane
PubChem CID10780024
Molecular FormulaC16H11ClF2O
Molecular Weight292.71 g/mol
Exact Mass292.05
IUPAC Name2-[1-(2-chlorophenyl)ethenyl]-2-(2,4-difluorophenyl)oxirane
SMILESC=C(c1ccccc1Cl)C1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C16H11ClF2O/c1-10(12-4-2-3-5-14(12)17)16(9-20-16)13-7-6-11(18)8-15(13)19/h2-8H,1,9H2
InChIKeyFMRNISMZDFOAJK-UHFFFAOYSA-N
XLogP4.56
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.71
LogP ≤ 54.56
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

CID 608511
CID 608511
CID 560709
CID 560709
CID 12035191
CID 12035191
CID 12561900
CID 12561900
CID 160587
CID 160587
CID 3066107
CID 3066107
CID 3066108
CID 3066108
CID 3066109
CID 3066109
CID 11183326
CID 11183326
CID 19992437
CID 19992437
CID 6453689
CID 6453689
CID 300919
CID 300919

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethenyl]-2-(2,4-difluorophenyl)oxirane?
The IUPAC name of 2-[1-(2-chlorophenyl)ethenyl]-2-(2,4-difluorophenyl)oxirane (CID 10780024) is 2-[1-(2-chlorophenyl)ethenyl]-2-(2,4-difluorophenyl)oxirane.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethenyl]-2-(2,4-difluorophenyl)oxirane?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethenyl]-2-(2,4-difluorophenyl)oxirane is C=C(c1ccccc1Cl)C1(c2ccc(F)cc2F)CO1.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethenyl]-2-(2,4-difluorophenyl)oxirane?
The InChIKey is FMRNISMZDFOAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2O/c1-10(12-4-2-3-5-14(12)17)16(9-20-16)13-7-6-11(18)8-15(13)19/h2-8H,1,9H2.
What are the key properties of 2-[1-(2-chlorophenyl)ethenyl]-2-(2,4-difluorophenyl)oxirane?
2-[1-(2-chlorophenyl)ethenyl]-2-(2,4-difluorophenyl)oxirane has a molecular weight of 292.71 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethenyl]-2-(2,4-difluorophenyl)oxirane is sourced from PubChem (CID 10780024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).