1,3-dichloro-2-(3,3-dichloroprop-2-enoxy)-5-(3,5-difluorophenoxy)benzene

C15H8Cl4F2O2 — CID 21466188

IUPAC1,3-dichloro-2-(3,3-dichloroprop-2-enoxy)-5-(3,5-difluorophenoxy)benzene
SMILESFc1cc(F)cc(Oc2cc(Cl)c(OCC=C(Cl)Cl)c(Cl)c2)c1
InChIInChI=1S/C15H8Cl4F2O2/c16-12-6-11(23-10-4-8(20)3-9(21)5-10)7-13(17)15(12)22-2-1-14(18)19/h1,3-7H,2H2
InChIKeyZIODIWZSOJYEDK-UHFFFAOYSA-N
MW400.04 g/mol
LogP6.76
Rot. Bonds5

About 1,3-dichloro-2-(3,3-dichloroprop-2-enoxy)-5-(3,5-difluorophenoxy)benzene

1,3-dichloro-2-(3,3-dichloroprop-2-enoxy)-5-(3,5-difluorophenoxy)benzene (PubChem CID 21466188) has the molecular formula C15H8Cl4F2O2 and a molecular weight of 400.04 g/mol. Its IUPAC name is 1,3-dichloro-2-(3,3-dichloroprop-2-enoxy)-5-(3,5-difluorophenoxy)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-(3,3-dichloroprop-2-enoxy)-5-(3,5-difluorophenoxy)benzene
PubChem CID21466188
Molecular FormulaC15H8Cl4F2O2
Molecular Weight400.04 g/mol
Exact Mass397.92
IUPAC Name1,3-dichloro-2-(3,3-dichloroprop-2-enoxy)-5-(3,5-difluorophenoxy)benzene
SMILESFc1cc(F)cc(Oc2cc(Cl)c(OCC=C(Cl)Cl)c(Cl)c2)c1
InChIInChI=1S/C15H8Cl4F2O2/c16-12-6-11(23-10-4-8(20)3-9(21)5-10)7-13(17)15(12)22-2-1-14(18)19/h1,3-7H,2H2
InChIKeyZIODIWZSOJYEDK-UHFFFAOYSA-N
XLogP6.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.04
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxybenzene
CID 18725396
1,3-dichloro-5-(4-chlorophenoxy)-2-(3,3-dibromoprop-2-enoxy)benzene
CID 139662682
2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenol
CID 11346738
4-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-1-(4-fluorophenyl)butan-1-one
CID 86613088
1,3-dichloro-2-[[3-(3,5-dichlorophenoxy)phenyl]methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 23203507
1,3-dichloro-5-[3-chloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]benzene
CID 21466190
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene
CID 54079745
5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]pentan-1-amine
CID 22006786
1,3-dichloro-2,5-bis(3,3-dibromoprop-2-enoxy)benzene
CID 54158760
1,3-dichloro-2-[(2-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 54133005
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-(3-phenoxypropoxy)benzene
CID 54077529
1,3-dichloro-2-[3-(4-chlorophenoxy)propoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 54295507

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-(3,3-dichloroprop-2-enoxy)-5-(3,5-difluorophenoxy)benzene?
The IUPAC name of 1,3-dichloro-2-(3,3-dichloroprop-2-enoxy)-5-(3,5-difluorophenoxy)benzene (CID 21466188) is 1,3-dichloro-2-(3,3-dichloroprop-2-enoxy)-5-(3,5-difluorophenoxy)benzene.
What is the SMILES notation for 1,3-dichloro-2-(3,3-dichloroprop-2-enoxy)-5-(3,5-difluorophenoxy)benzene?
The canonical SMILES for 1,3-dichloro-2-(3,3-dichloroprop-2-enoxy)-5-(3,5-difluorophenoxy)benzene is Fc1cc(F)cc(Oc2cc(Cl)c(OCC=C(Cl)Cl)c(Cl)c2)c1.
What is the InChIKey of 1,3-dichloro-2-(3,3-dichloroprop-2-enoxy)-5-(3,5-difluorophenoxy)benzene?
The InChIKey is ZIODIWZSOJYEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl4F2O2/c16-12-6-11(23-10-4-8(20)3-9(21)5-10)7-13(17)15(12)22-2-1-14(18)19/h1,3-7H,2H2.
What are the key properties of 1,3-dichloro-2-(3,3-dichloroprop-2-enoxy)-5-(3,5-difluorophenoxy)benzene?
1,3-dichloro-2-(3,3-dichloroprop-2-enoxy)-5-(3,5-difluorophenoxy)benzene has a molecular weight of 400.04 g/mol, XLogP of 6.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(3,3-dichloroprop-2-enoxy)-5-(3,5-difluorophenoxy)benzene is sourced from PubChem (CID 21466188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).