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

C10H8Cl3FOS — CID 18725437

IUPAC1-chloro-5-(3,3-dichloroprop-2-enylsulfanyl)-3-fluoro-2-methoxybenzene
SMILESCOc1c(F)cc(SCC=C(Cl)Cl)cc1Cl
InChIInChI=1S/C10H8Cl3FOS/c1-15-10-7(11)4-6(5-8(10)14)16-3-2-9(12)13/h2,4-5H,3H2,1H3
InChIKeyPVXMLVRAWFAOCX-UHFFFAOYSA-N
MW301.60 g/mol
LogP4.90
Rot. Bonds4

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

1-chloro-5-(3,3-dichloroprop-2-enylsulfanyl)-3-fluoro-2-methoxybenzene (PubChem CID 18725437) has the molecular formula C10H8Cl3FOS and a molecular weight of 301.60 g/mol. Its IUPAC name is 1-chloro-5-(3,3-dichloroprop-2-enylsulfanyl)-3-fluoro-2-methoxybenzene.

Molecular Properties

Compound Name1-chloro-5-(3,3-dichloroprop-2-enylsulfanyl)-3-fluoro-2-methoxybenzene
PubChem CID18725437
Molecular FormulaC10H8Cl3FOS
Molecular Weight301.60 g/mol
Exact Mass299.93
IUPAC Name1-chloro-5-(3,3-dichloroprop-2-enylsulfanyl)-3-fluoro-2-methoxybenzene
SMILESCOc1c(F)cc(SCC=C(Cl)Cl)cc1Cl
InChIInChI=1S/C10H8Cl3FOS/c1-15-10-7(11)4-6(5-8(10)14)16-3-2-9(12)13/h2,4-5H,3H2,1H3
InChIKeyPVXMLVRAWFAOCX-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.60
LogP ≤ 54.90
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-enylsulfanyl)-3-fluoro-2-methoxybenzene?
The IUPAC name of 1-chloro-5-(3,3-dichloroprop-2-enylsulfanyl)-3-fluoro-2-methoxybenzene (CID 18725437) is 1-chloro-5-(3,3-dichloroprop-2-enylsulfanyl)-3-fluoro-2-methoxybenzene.
What is the SMILES notation for 1-chloro-5-(3,3-dichloroprop-2-enylsulfanyl)-3-fluoro-2-methoxybenzene?
The canonical SMILES for 1-chloro-5-(3,3-dichloroprop-2-enylsulfanyl)-3-fluoro-2-methoxybenzene is COc1c(F)cc(SCC=C(Cl)Cl)cc1Cl.
What is the InChIKey of 1-chloro-5-(3,3-dichloroprop-2-enylsulfanyl)-3-fluoro-2-methoxybenzene?
The InChIKey is PVXMLVRAWFAOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3FOS/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-enylsulfanyl)-3-fluoro-2-methoxybenzene?
1-chloro-5-(3,3-dichloroprop-2-enylsulfanyl)-3-fluoro-2-methoxybenzene has a molecular weight of 301.60 g/mol, XLogP of 4.90, 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-enylsulfanyl)-3-fluoro-2-methoxybenzene is sourced from PubChem (CID 18725437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).