1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-4-fluoro-2-methoxybenzene

C10H7Cl4FO2 — CID 18725399

IUPAC1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-4-fluoro-2-methoxybenzene
SMILESCOc1c(Cl)cc(OCC=C(Cl)Cl)c(F)c1Cl
InChIInChI=1S/C10H7Cl4FO2/c1-16-10-5(11)4-6(9(15)8(10)14)17-3-2-7(12)13/h2,4H,3H2,1H3
InChIKeyUHVILXNTKBIPNN-UHFFFAOYSA-N
MW319.97 g/mol
LogP4.84
Rot. Bonds4

About 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-4-fluoro-2-methoxybenzene

1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-4-fluoro-2-methoxybenzene (PubChem CID 18725399) has the molecular formula C10H7Cl4FO2 and a molecular weight of 319.97 g/mol. Its IUPAC name is 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-4-fluoro-2-methoxybenzene.

Molecular Properties

Compound Name1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-4-fluoro-2-methoxybenzene
PubChem CID18725399
Molecular FormulaC10H7Cl4FO2
Molecular Weight319.97 g/mol
Exact Mass317.92
IUPAC Name1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-4-fluoro-2-methoxybenzene
SMILESCOc1c(Cl)cc(OCC=C(Cl)Cl)c(F)c1Cl
InChIInChI=1S/C10H7Cl4FO2/c1-16-10-5(11)4-6(9(15)8(10)14)17-3-2-7(12)13/h2,4H,3H2,1H3
InChIKeyUHVILXNTKBIPNN-UHFFFAOYSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.97
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-4-fluoro-2-methoxybenzene?
The IUPAC name of 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-4-fluoro-2-methoxybenzene (CID 18725399) is 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-4-fluoro-2-methoxybenzene.
What is the SMILES notation for 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-4-fluoro-2-methoxybenzene?
The canonical SMILES for 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-4-fluoro-2-methoxybenzene is COc1c(Cl)cc(OCC=C(Cl)Cl)c(F)c1Cl.
What is the InChIKey of 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-4-fluoro-2-methoxybenzene?
The InChIKey is UHVILXNTKBIPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl4FO2/c1-16-10-5(11)4-6(9(15)8(10)14)17-3-2-7(12)13/h2,4H,3H2,1H3.
What are the key properties of 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-4-fluoro-2-methoxybenzene?
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-4-fluoro-2-methoxybenzene has a molecular weight of 319.97 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-4-fluoro-2-methoxybenzene is sourced from PubChem (CID 18725399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).