[(2-ethylcyclopentyl)-difluoromethyl]sulfonylbenzene

C14H18F2O2S — CID 163297703

IUPAC[(2-ethylcyclopentyl)-difluoromethyl]sulfonylbenzene
SMILESCCC1CCCC1C(F)(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H18F2O2S/c1-2-11-7-6-10-13(11)14(15,16)19(17,18)12-8-4-3-5-9-12/h3-5,8-9,11,13H,2,6-7,10H2,1H3
InChIKeyCSLLQTZKDURHDD-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.88
Rot. Bonds4

About [(2-ethylcyclopentyl)-difluoromethyl]sulfonylbenzene

[(2-ethylcyclopentyl)-difluoromethyl]sulfonylbenzene (PubChem CID 163297703) has the molecular formula C14H18F2O2S and a molecular weight of 288.36 g/mol. Its IUPAC name is [(2-ethylcyclopentyl)-difluoromethyl]sulfonylbenzene.

Molecular Properties

Compound Name[(2-ethylcyclopentyl)-difluoromethyl]sulfonylbenzene
PubChem CID163297703
Molecular FormulaC14H18F2O2S
Molecular Weight288.36 g/mol
Exact Mass288.10
IUPAC Name[(2-ethylcyclopentyl)-difluoromethyl]sulfonylbenzene
SMILESCCC1CCCC1C(F)(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H18F2O2S/c1-2-11-7-6-10-13(11)14(15,16)19(17,18)12-8-4-3-5-9-12/h3-5,8-9,11,13H,2,6-7,10H2,1H3
InChIKeyCSLLQTZKDURHDD-UHFFFAOYSA-N
XLogP3.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-Difluoropentylphenyl sulfone
CID 12158449
[(E)-2-cyclohexyl-1-fluoroethenyl]sulfonylbenzene
CID 101481699
1,1-Difluoro-4-phenylbutyl Phenyl Sulfone
CID 11716550
1,1-Difluorobutylphenyl sulfone
CID 12155709
1,1-Difluoropropylphenyl sulfone
CID 12155710
1,1-Difluoroethyl Phenyl Sulfone
CID 12155711
1,1-Difluoro-5-phenylpentyl Phenyl Sulfone
CID 11529906
1,1-Difluorooctylphenyl sulfone
CID 11580147
[7-(Benzenesulfonyl)-7,7-difluoroheptyl]benzene
CID 12155712
1,1-Difluorohexylphenyl sulfone
CID 12158448
[6-(Benzenesulfonyl)-6,6-difluorohexyl]benzene
CID 12158452
((e)-4,4,4-Trifluoro-but-2-ene-2-sulfonyl)-benzene
CID 67549587

Frequently Asked Questions

What is the IUPAC name of [(2-ethylcyclopentyl)-difluoromethyl]sulfonylbenzene?
The IUPAC name of [(2-ethylcyclopentyl)-difluoromethyl]sulfonylbenzene (CID 163297703) is [(2-ethylcyclopentyl)-difluoromethyl]sulfonylbenzene.
What is the SMILES notation for [(2-ethylcyclopentyl)-difluoromethyl]sulfonylbenzene?
The canonical SMILES for [(2-ethylcyclopentyl)-difluoromethyl]sulfonylbenzene is CCC1CCCC1C(F)(F)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(2-ethylcyclopentyl)-difluoromethyl]sulfonylbenzene?
The InChIKey is CSLLQTZKDURHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O2S/c1-2-11-7-6-10-13(11)14(15,16)19(17,18)12-8-4-3-5-9-12/h3-5,8-9,11,13H,2,6-7,10H2,1H3.
What are the key properties of [(2-ethylcyclopentyl)-difluoromethyl]sulfonylbenzene?
[(2-ethylcyclopentyl)-difluoromethyl]sulfonylbenzene has a molecular weight of 288.36 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-ethylcyclopentyl)-difluoromethyl]sulfonylbenzene is sourced from PubChem (CID 163297703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).