1,3-dichloro-5-(1,1,2,2,3,3,3-heptafluoropropylsulfinyl)benzene

C9H3Cl2F7OS — CID 123919895

IUPAC1,3-dichloro-5-(1,1,2,2,3,3,3-heptafluoropropylsulfinyl)benzene
SMILESO=S(c1cc(Cl)cc(Cl)c1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H3Cl2F7OS/c10-4-1-5(11)3-6(2-4)20(19)9(17,18)7(12,13)8(14,15)16/h1-3H
InChIKeyMMWWYSJJDZOJLQ-UHFFFAOYSA-N
MW363.08 g/mol
LogP4.89
Rot. Bonds3

About 1,3-dichloro-5-(1,1,2,2,3,3,3-heptafluoropropylsulfinyl)benzene

1,3-dichloro-5-(1,1,2,2,3,3,3-heptafluoropropylsulfinyl)benzene (PubChem CID 123919895) has the molecular formula C9H3Cl2F7OS and a molecular weight of 363.08 g/mol. Its IUPAC name is 1,3-dichloro-5-(1,1,2,2,3,3,3-heptafluoropropylsulfinyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-5-(1,1,2,2,3,3,3-heptafluoropropylsulfinyl)benzene
PubChem CID123919895
Molecular FormulaC9H3Cl2F7OS
Molecular Weight363.08 g/mol
Exact Mass361.92
IUPAC Name1,3-dichloro-5-(1,1,2,2,3,3,3-heptafluoropropylsulfinyl)benzene
SMILESO=S(c1cc(Cl)cc(Cl)c1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H3Cl2F7OS/c10-4-1-5(11)3-6(2-4)20(19)9(17,18)7(12,13)8(14,15)16/h1-3H
InChIKeyMMWWYSJJDZOJLQ-UHFFFAOYSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.08
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-(1,1,2,2,3,3,3-heptafluoropropylsulfinyl)benzene?
The IUPAC name of 1,3-dichloro-5-(1,1,2,2,3,3,3-heptafluoropropylsulfinyl)benzene (CID 123919895) is 1,3-dichloro-5-(1,1,2,2,3,3,3-heptafluoropropylsulfinyl)benzene.
What is the SMILES notation for 1,3-dichloro-5-(1,1,2,2,3,3,3-heptafluoropropylsulfinyl)benzene?
The canonical SMILES for 1,3-dichloro-5-(1,1,2,2,3,3,3-heptafluoropropylsulfinyl)benzene is O=S(c1cc(Cl)cc(Cl)c1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,3-dichloro-5-(1,1,2,2,3,3,3-heptafluoropropylsulfinyl)benzene?
The InChIKey is MMWWYSJJDZOJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl2F7OS/c10-4-1-5(11)3-6(2-4)20(19)9(17,18)7(12,13)8(14,15)16/h1-3H.
What are the key properties of 1,3-dichloro-5-(1,1,2,2,3,3,3-heptafluoropropylsulfinyl)benzene?
1,3-dichloro-5-(1,1,2,2,3,3,3-heptafluoropropylsulfinyl)benzene has a molecular weight of 363.08 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(1,1,2,2,3,3,3-heptafluoropropylsulfinyl)benzene is sourced from PubChem (CID 123919895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).