6-[chloro-(4-chloro-2,5-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine

C15H10Cl2F2O2 — CID 82772655

IUPAC6-[chloro-(4-chloro-2,5-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
SMILESFc1cc(C(Cl)c2ccc3c(c2)OCCO3)c(F)cc1Cl
InChIInChI=1S/C15H10Cl2F2O2/c16-10-7-11(18)9(6-12(10)19)15(17)8-1-2-13-14(5-8)21-4-3-20-13/h1-2,5-7,15H,3-4H2
InChIKeyWXBKPKFQCHMSFF-UHFFFAOYSA-N
MW331.15 g/mol
LogP4.72
Rot. Bonds2

About 6-[chloro-(4-chloro-2,5-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine

6-[chloro-(4-chloro-2,5-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine (PubChem CID 82772655) has the molecular formula C15H10Cl2F2O2 and a molecular weight of 331.15 g/mol. Its IUPAC name is 6-[chloro-(4-chloro-2,5-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-[chloro-(4-chloro-2,5-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
PubChem CID82772655
Molecular FormulaC15H10Cl2F2O2
Molecular Weight331.15 g/mol
Exact Mass330.00
IUPAC Name6-[chloro-(4-chloro-2,5-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
SMILESFc1cc(C(Cl)c2ccc3c(c2)OCCO3)c(F)cc1Cl
InChIInChI=1S/C15H10Cl2F2O2/c16-10-7-11(18)9(6-12(10)19)15(17)8-1-2-13-14(5-8)21-4-3-20-13/h1-2,5-7,15H,3-4H2
InChIKeyWXBKPKFQCHMSFF-UHFFFAOYSA-N
XLogP4.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

6-[chloro-(2,5-dichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63433969
6-[(5-bromo-2-fluorophenyl)-chloromethyl]-2,3-dihydro-1,4-benzodioxine
CID 63433568
6-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,3-dihydro-1,4-benzodioxine
CID 107991454
7-[(5-bromo-2-fluorophenyl)-chloromethyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 63429585
6-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63434010
6-[chloro-(3-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 61084137
6-[chloro-(2,6-difluoro-3-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 82799538
7-[chloro-(2,3-dichlorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 63429460
6-[chloro-(3-chlorothiophen-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 80530414
6-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 61086135
6-[chloro-(2,3-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63434057
6-[chloro-(5-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435317

Frequently Asked Questions

What is the IUPAC name of 6-[chloro-(4-chloro-2,5-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-[chloro-(4-chloro-2,5-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine (CID 82772655) is 6-[chloro-(4-chloro-2,5-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-[chloro-(4-chloro-2,5-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-[chloro-(4-chloro-2,5-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine is Fc1cc(C(Cl)c2ccc3c(c2)OCCO3)c(F)cc1Cl.
What is the InChIKey of 6-[chloro-(4-chloro-2,5-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine?
The InChIKey is WXBKPKFQCHMSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F2O2/c16-10-7-11(18)9(6-12(10)19)15(17)8-1-2-13-14(5-8)21-4-3-20-13/h1-2,5-7,15H,3-4H2.
What are the key properties of 6-[chloro-(4-chloro-2,5-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine?
6-[chloro-(4-chloro-2,5-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine has a molecular weight of 331.15 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro-(4-chloro-2,5-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 82772655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).