2-(chloromethyl)-3-(2-chlorophenyl)-2-(3,5-difluorophenyl)oxirane

C15H10Cl2F2O — CID 87251597

IUPAC2-(chloromethyl)-3-(2-chlorophenyl)-2-(3,5-difluorophenyl)oxirane
SMILESFc1cc(F)cc(C2(CCl)OC2c2ccccc2Cl)c1
InChIInChI=1S/C15H10Cl2F2O/c16-8-15(9-5-10(18)7-11(19)6-9)14(20-15)12-3-1-2-4-13(12)17/h1-7,14H,8H2
InChIKeyRKIBAWPARJWZKC-UHFFFAOYSA-N
MW315.15 g/mol
LogP4.82
Rot. Bonds3

About 2-(chloromethyl)-3-(2-chlorophenyl)-2-(3,5-difluorophenyl)oxirane

2-(chloromethyl)-3-(2-chlorophenyl)-2-(3,5-difluorophenyl)oxirane (PubChem CID 87251597) has the molecular formula C15H10Cl2F2O and a molecular weight of 315.15 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(2-chlorophenyl)-2-(3,5-difluorophenyl)oxirane.

Molecular Properties

Compound Name2-(chloromethyl)-3-(2-chlorophenyl)-2-(3,5-difluorophenyl)oxirane
PubChem CID87251597
Molecular FormulaC15H10Cl2F2O
Molecular Weight315.15 g/mol
Exact Mass314.01
IUPAC Name2-(chloromethyl)-3-(2-chlorophenyl)-2-(3,5-difluorophenyl)oxirane
SMILESFc1cc(F)cc(C2(CCl)OC2c2ccccc2Cl)c1
InChIInChI=1S/C15H10Cl2F2O/c16-8-15(9-5-10(18)7-11(19)6-9)14(20-15)12-3-1-2-4-13(12)17/h1-7,14H,8H2
InChIKeyRKIBAWPARJWZKC-UHFFFAOYSA-N
XLogP4.82
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 54.82
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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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(2-chlorophenyl)-2-(3,5-difluorophenyl)oxirane?
The IUPAC name of 2-(chloromethyl)-3-(2-chlorophenyl)-2-(3,5-difluorophenyl)oxirane (CID 87251597) is 2-(chloromethyl)-3-(2-chlorophenyl)-2-(3,5-difluorophenyl)oxirane.
What is the SMILES notation for 2-(chloromethyl)-3-(2-chlorophenyl)-2-(3,5-difluorophenyl)oxirane?
The canonical SMILES for 2-(chloromethyl)-3-(2-chlorophenyl)-2-(3,5-difluorophenyl)oxirane is Fc1cc(F)cc(C2(CCl)OC2c2ccccc2Cl)c1.
What is the InChIKey of 2-(chloromethyl)-3-(2-chlorophenyl)-2-(3,5-difluorophenyl)oxirane?
The InChIKey is RKIBAWPARJWZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F2O/c16-8-15(9-5-10(18)7-11(19)6-9)14(20-15)12-3-1-2-4-13(12)17/h1-7,14H,8H2.
What are the key properties of 2-(chloromethyl)-3-(2-chlorophenyl)-2-(3,5-difluorophenyl)oxirane?
2-(chloromethyl)-3-(2-chlorophenyl)-2-(3,5-difluorophenyl)oxirane has a molecular weight of 315.15 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(2-chlorophenyl)-2-(3,5-difluorophenyl)oxirane is sourced from PubChem (CID 87251597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).