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

C10H8Cl3FO2 — CID 18725433

IUPAC1-chloro-5-(3,3-dichloroprop-2-enoxy)-3-fluoro-2-methoxybenzene
SMILESCOc1c(F)cc(OCC=C(Cl)Cl)cc1Cl
InChIInChI=1S/C10H8Cl3FO2/c1-15-10-7(11)4-6(5-8(10)14)16-3-2-9(12)13/h2,4-5H,3H2,1H3
InChIKeyNTDFBALNIFJIEB-UHFFFAOYSA-N
MW285.53 g/mol
LogP4.19
Rot. Bonds4

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

1-chloro-5-(3,3-dichloroprop-2-enoxy)-3-fluoro-2-methoxybenzene (PubChem CID 18725433) has the molecular formula C10H8Cl3FO2 and a molecular weight of 285.53 g/mol. Its IUPAC name is 1-chloro-5-(3,3-dichloroprop-2-enoxy)-3-fluoro-2-methoxybenzene.

Molecular Properties

Compound Name1-chloro-5-(3,3-dichloroprop-2-enoxy)-3-fluoro-2-methoxybenzene
PubChem CID18725433
Molecular FormulaC10H8Cl3FO2
Molecular Weight285.53 g/mol
Exact Mass283.96
IUPAC Name1-chloro-5-(3,3-dichloroprop-2-enoxy)-3-fluoro-2-methoxybenzene
SMILESCOc1c(F)cc(OCC=C(Cl)Cl)cc1Cl
InChIInChI=1S/C10H8Cl3FO2/c1-15-10-7(11)4-6(5-8(10)14)16-3-2-9(12)13/h2,4-5H,3H2,1H3
InChIKeyNTDFBALNIFJIEB-UHFFFAOYSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.53
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-(3,3-dichloroprop-2-enoxy)-3-fluoro-2-methoxybenzene?
The IUPAC name of 1-chloro-5-(3,3-dichloroprop-2-enoxy)-3-fluoro-2-methoxybenzene (CID 18725433) is 1-chloro-5-(3,3-dichloroprop-2-enoxy)-3-fluoro-2-methoxybenzene.
What is the SMILES notation for 1-chloro-5-(3,3-dichloroprop-2-enoxy)-3-fluoro-2-methoxybenzene?
The canonical SMILES for 1-chloro-5-(3,3-dichloroprop-2-enoxy)-3-fluoro-2-methoxybenzene is COc1c(F)cc(OCC=C(Cl)Cl)cc1Cl.
What is the InChIKey of 1-chloro-5-(3,3-dichloroprop-2-enoxy)-3-fluoro-2-methoxybenzene?
The InChIKey is NTDFBALNIFJIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3FO2/c1-15-10-7(11)4-6(5-8(10)14)16-3-2-9(12)13/h2,4-5H,3H2,1H3.
What are the key properties of 1-chloro-5-(3,3-dichloroprop-2-enoxy)-3-fluoro-2-methoxybenzene?
1-chloro-5-(3,3-dichloroprop-2-enoxy)-3-fluoro-2-methoxybenzene has a molecular weight of 285.53 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-(3,3-dichloroprop-2-enoxy)-3-fluoro-2-methoxybenzene is sourced from PubChem (CID 18725433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).