1,3-dichloro-5-fluoro-2-(2-methylsulfanylpropan-2-yl)benzene

C10H11Cl2FS — CID 146636699

IUPAC1,3-dichloro-5-fluoro-2-(2-methylsulfanylpropan-2-yl)benzene
SMILESCSC(C)(C)c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C10H11Cl2FS/c1-10(2,14-3)9-7(11)4-6(13)5-8(9)12/h4-5H,1-3H3
InChIKeySNRSKJVLKKDJDE-UHFFFAOYSA-N
MW253.17 g/mol
LogP4.73
Rot. Bonds2

About 1,3-dichloro-5-fluoro-2-(2-methylsulfanylpropan-2-yl)benzene

1,3-dichloro-5-fluoro-2-(2-methylsulfanylpropan-2-yl)benzene (PubChem CID 146636699) has the molecular formula C10H11Cl2FS and a molecular weight of 253.17 g/mol. Its IUPAC name is 1,3-dichloro-5-fluoro-2-(2-methylsulfanylpropan-2-yl)benzene.

Molecular Properties

Compound Name1,3-dichloro-5-fluoro-2-(2-methylsulfanylpropan-2-yl)benzene
PubChem CID146636699
Molecular FormulaC10H11Cl2FS
Molecular Weight253.17 g/mol
Exact Mass251.99
IUPAC Name1,3-dichloro-5-fluoro-2-(2-methylsulfanylpropan-2-yl)benzene
SMILESCSC(C)(C)c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C10H11Cl2FS/c1-10(2,14-3)9-7(11)4-6(13)5-8(9)12/h4-5H,1-3H3
InChIKeySNRSKJVLKKDJDE-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.17
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-fluoro-2-(2-methylsulfanylpropan-2-yl)benzene?
The IUPAC name of 1,3-dichloro-5-fluoro-2-(2-methylsulfanylpropan-2-yl)benzene (CID 146636699) is 1,3-dichloro-5-fluoro-2-(2-methylsulfanylpropan-2-yl)benzene.
What is the SMILES notation for 1,3-dichloro-5-fluoro-2-(2-methylsulfanylpropan-2-yl)benzene?
The canonical SMILES for 1,3-dichloro-5-fluoro-2-(2-methylsulfanylpropan-2-yl)benzene is CSC(C)(C)c1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 1,3-dichloro-5-fluoro-2-(2-methylsulfanylpropan-2-yl)benzene?
The InChIKey is SNRSKJVLKKDJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2FS/c1-10(2,14-3)9-7(11)4-6(13)5-8(9)12/h4-5H,1-3H3.
What are the key properties of 1,3-dichloro-5-fluoro-2-(2-methylsulfanylpropan-2-yl)benzene?
1,3-dichloro-5-fluoro-2-(2-methylsulfanylpropan-2-yl)benzene has a molecular weight of 253.17 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-fluoro-2-(2-methylsulfanylpropan-2-yl)benzene is sourced from PubChem (CID 146636699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).