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

C10H8Br2ClFOS — CID 18725429

IUPAC1-chloro-5-(3,3-dibromoprop-2-enylsulfanyl)-3-fluoro-2-methoxybenzene
SMILESCOc1c(F)cc(SCC=C(Br)Br)cc1Cl
InChIInChI=1S/C10H8Br2ClFOS/c1-15-10-7(13)4-6(5-8(10)14)16-3-2-9(11)12/h2,4-5H,3H2,1H3
InChIKeyGYEYFIROFXGKMO-UHFFFAOYSA-N
MW390.50 g/mol
LogP5.21
Rot. Bonds4

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

1-chloro-5-(3,3-dibromoprop-2-enylsulfanyl)-3-fluoro-2-methoxybenzene (PubChem CID 18725429) has the molecular formula C10H8Br2ClFOS and a molecular weight of 390.50 g/mol. Its IUPAC name is 1-chloro-5-(3,3-dibromoprop-2-enylsulfanyl)-3-fluoro-2-methoxybenzene.

Molecular Properties

Compound Name1-chloro-5-(3,3-dibromoprop-2-enylsulfanyl)-3-fluoro-2-methoxybenzene
PubChem CID18725429
Molecular FormulaC10H8Br2ClFOS
Molecular Weight390.50 g/mol
Exact Mass387.83
IUPAC Name1-chloro-5-(3,3-dibromoprop-2-enylsulfanyl)-3-fluoro-2-methoxybenzene
SMILESCOc1c(F)cc(SCC=C(Br)Br)cc1Cl
InChIInChI=1S/C10H8Br2ClFOS/c1-15-10-7(13)4-6(5-8(10)14)16-3-2-9(11)12/h2,4-5H,3H2,1H3
InChIKeyGYEYFIROFXGKMO-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.50
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-chloro-5-(3,3-dibromoprop-2-enylsulfanyl)-3-fluoro-2-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-(3,3-dibromoprop-2-enylsulfanyl)-3-fluoro-2-methoxybenzene?
The IUPAC name of 1-chloro-5-(3,3-dibromoprop-2-enylsulfanyl)-3-fluoro-2-methoxybenzene (CID 18725429) is 1-chloro-5-(3,3-dibromoprop-2-enylsulfanyl)-3-fluoro-2-methoxybenzene.
What is the SMILES notation for 1-chloro-5-(3,3-dibromoprop-2-enylsulfanyl)-3-fluoro-2-methoxybenzene?
The canonical SMILES for 1-chloro-5-(3,3-dibromoprop-2-enylsulfanyl)-3-fluoro-2-methoxybenzene is COc1c(F)cc(SCC=C(Br)Br)cc1Cl.
What is the InChIKey of 1-chloro-5-(3,3-dibromoprop-2-enylsulfanyl)-3-fluoro-2-methoxybenzene?
The InChIKey is GYEYFIROFXGKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2ClFOS/c1-15-10-7(13)4-6(5-8(10)14)16-3-2-9(11)12/h2,4-5H,3H2,1H3.
What are the key properties of 1-chloro-5-(3,3-dibromoprop-2-enylsulfanyl)-3-fluoro-2-methoxybenzene?
1-chloro-5-(3,3-dibromoprop-2-enylsulfanyl)-3-fluoro-2-methoxybenzene has a molecular weight of 390.50 g/mol, XLogP of 5.21, 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-dibromoprop-2-enylsulfanyl)-3-fluoro-2-methoxybenzene is sourced from PubChem (CID 18725429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).