2-(cyclopropylsulfonylmethyl)-1-fluoro-4-methylbenzene

C11H13FO2S — CID 158363835

IUPAC2-(cyclopropylsulfonylmethyl)-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(CS(=O)(=O)C2CC2)c1
InChIInChI=1S/C11H13FO2S/c1-8-2-5-11(12)9(6-8)7-15(13,14)10-3-4-10/h2,5-6,10H,3-4,7H2,1H3
InChIKeyYQAFIRUJHFRDPO-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.21
Rot. Bonds3

About 2-(cyclopropylsulfonylmethyl)-1-fluoro-4-methylbenzene

2-(cyclopropylsulfonylmethyl)-1-fluoro-4-methylbenzene (PubChem CID 158363835) has the molecular formula C11H13FO2S and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(cyclopropylsulfonylmethyl)-1-fluoro-4-methylbenzene.

Molecular Properties

Compound Name2-(cyclopropylsulfonylmethyl)-1-fluoro-4-methylbenzene
PubChem CID158363835
Molecular FormulaC11H13FO2S
Molecular Weight228.29 g/mol
Exact Mass228.06
IUPAC Name2-(cyclopropylsulfonylmethyl)-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(CS(=O)(=O)C2CC2)c1
InChIInChI=1S/C11H13FO2S/c1-8-2-5-11(12)9(6-8)7-15(13,14)10-3-4-10/h2,5-6,10H,3-4,7H2,1H3
InChIKeyYQAFIRUJHFRDPO-UHFFFAOYSA-N
XLogP2.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfonylmethyl)-1-fluoro-4-methylbenzene?
The IUPAC name of 2-(cyclopropylsulfonylmethyl)-1-fluoro-4-methylbenzene (CID 158363835) is 2-(cyclopropylsulfonylmethyl)-1-fluoro-4-methylbenzene.
What is the SMILES notation for 2-(cyclopropylsulfonylmethyl)-1-fluoro-4-methylbenzene?
The canonical SMILES for 2-(cyclopropylsulfonylmethyl)-1-fluoro-4-methylbenzene is Cc1ccc(F)c(CS(=O)(=O)C2CC2)c1.
What is the InChIKey of 2-(cyclopropylsulfonylmethyl)-1-fluoro-4-methylbenzene?
The InChIKey is YQAFIRUJHFRDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2S/c1-8-2-5-11(12)9(6-8)7-15(13,14)10-3-4-10/h2,5-6,10H,3-4,7H2,1H3.
What are the key properties of 2-(cyclopropylsulfonylmethyl)-1-fluoro-4-methylbenzene?
2-(cyclopropylsulfonylmethyl)-1-fluoro-4-methylbenzene has a molecular weight of 228.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfonylmethyl)-1-fluoro-4-methylbenzene is sourced from PubChem (CID 158363835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).