2-(difluoromethylsulfanyl)ethylbenzene

C9H10F2S — CID 155555822

IUPAC2-(difluoromethylsulfanyl)ethylbenzene
SMILESFC(F)SCCc1ccccc1
InChIInChI=1S/C9H10F2S/c10-9(11)12-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyLJCAJBYPLGEZJK-UHFFFAOYSA-N
MW188.24 g/mol
LogP3.18
Rot. Bonds4

About 2-(difluoromethylsulfanyl)ethylbenzene

2-(difluoromethylsulfanyl)ethylbenzene (PubChem CID 155555822) has the molecular formula C9H10F2S and a molecular weight of 188.24 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)ethylbenzene.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)ethylbenzene
PubChem CID155555822
Molecular FormulaC9H10F2S
Molecular Weight188.24 g/mol
Exact Mass188.05
IUPAC Name2-(difluoromethylsulfanyl)ethylbenzene
SMILESFC(F)SCCc1ccccc1
InChIInChI=1S/C9H10F2S/c10-9(11)12-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyLJCAJBYPLGEZJK-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

benzene;2-phenylethylbenzene
CID 18982764
2-(2-phenylethylsulfanyl)-3-[2-(2-phenylethylsulfanyl)-3-sulfanylpropyl]sulfanylpropane-1-thiol
CID 20768489
2-(2-phenylethylsulfanyl)phenol
CID 10823369
1-methyl-2-(2-phenylethylsulfanyl)benzene
CID 59416597
[(3S)-3-bromo-3-fluoropropyl]benzene
CID 129394816
hafnium;2-phenylethylbenzene
CID 173109801
3-(2-phenylethylsulfanyl)butanoic acid
CID 66137365
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
4-phenylbutylbenzene
CID 141301927
2-fluoroethylbenzene;hydrate
CID 174885583
2-(benzyldisulfanyl)ethylbenzene
CID 88836915
2-(3-methylpentylsulfanyl)ethylbenzene
CID 153445059

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)ethylbenzene?
The IUPAC name of 2-(difluoromethylsulfanyl)ethylbenzene (CID 155555822) is 2-(difluoromethylsulfanyl)ethylbenzene.
What is the SMILES notation for 2-(difluoromethylsulfanyl)ethylbenzene?
The canonical SMILES for 2-(difluoromethylsulfanyl)ethylbenzene is FC(F)SCCc1ccccc1.
What is the InChIKey of 2-(difluoromethylsulfanyl)ethylbenzene?
The InChIKey is LJCAJBYPLGEZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2S/c10-9(11)12-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 2-(difluoromethylsulfanyl)ethylbenzene?
2-(difluoromethylsulfanyl)ethylbenzene has a molecular weight of 188.24 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)ethylbenzene is sourced from PubChem (CID 155555822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).