1-[(Z)-(2,2-difluoro-3,3-dimethylcyclopropylidene)methyl]sulfonyl-4-methylbenzene

C13H14F2O2S — CID 102024705

IUPAC1-[(Z)-(2,2-difluoro-3,3-dimethylcyclopropylidene)methyl]sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)/C=C2/C(C)(C)C2(F)F)cc1
InChIInChI=1S/C13H14F2O2S/c1-9-4-6-10(7-5-9)18(16,17)8-11-12(2,3)13(11,14)15/h4-8H,1-3H3/b11-8-
InChIKeyBGLSBXRNCNNBEW-FLIBITNWSA-N
MW272.32 g/mol
LogP3.33
Rot. Bonds2

About 1-[(Z)-(2,2-difluoro-3,3-dimethylcyclopropylidene)methyl]sulfonyl-4-methylbenzene

1-[(Z)-(2,2-difluoro-3,3-dimethylcyclopropylidene)methyl]sulfonyl-4-methylbenzene (PubChem CID 102024705) has the molecular formula C13H14F2O2S and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-[(Z)-(2,2-difluoro-3,3-dimethylcyclopropylidene)methyl]sulfonyl-4-methylbenzene.

Molecular Properties

Compound Name1-[(Z)-(2,2-difluoro-3,3-dimethylcyclopropylidene)methyl]sulfonyl-4-methylbenzene
PubChem CID102024705
Molecular FormulaC13H14F2O2S
Molecular Weight272.32 g/mol
Exact Mass272.07
IUPAC Name1-[(Z)-(2,2-difluoro-3,3-dimethylcyclopropylidene)methyl]sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)/C=C2/C(C)(C)C2(F)F)cc1
InChIInChI=1S/C13H14F2O2S/c1-9-4-6-10(7-5-9)18(16,17)8-11-12(2,3)13(11,14)15/h4-8H,1-3H3/b11-8-
InChIKeyBGLSBXRNCNNBEW-FLIBITNWSA-N
XLogP3.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(Z)-(2,2-difluoro-3,3-dimethylcyclopropylidene)methyl]sulfonyl-4-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-2-fluoroethenyl]sulfonyl-4-methylbenzene
CID 13418310
1-methyl-4-[(1E,3E)-4-(4-methylphenyl)sulfonylbuta-1,3-dienyl]sulfonylbenzene
CID 10570649
1-methyl-4-[(4-methylphenyl)sulfonylmethylidene]pyridine
CID 71348390
fluoromethane;4-methylbenzenesulfonyl chloride
CID 91127409
2-(4-methylphenyl)sulfonylethenone
CID 54505790
1-(2,2-dichloroethenylsulfonyl)-4-methylbenzene
CID 586997
3,3,5,5-tetramethyl-1-[(E)-2-(4-methylphenyl)sulfonylethenyl]piperidin-4-one
CID 10616798
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane
CID 143485097
(Z)-3-(4-methylphenyl)sulfonylprop-2-enenitrile
CID 6604905
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(2,2-difluoro-3,3-dimethylcyclopropylidene)methyl]sulfonyl-4-methylbenzene?
The IUPAC name of 1-[(Z)-(2,2-difluoro-3,3-dimethylcyclopropylidene)methyl]sulfonyl-4-methylbenzene (CID 102024705) is 1-[(Z)-(2,2-difluoro-3,3-dimethylcyclopropylidene)methyl]sulfonyl-4-methylbenzene.
What is the SMILES notation for 1-[(Z)-(2,2-difluoro-3,3-dimethylcyclopropylidene)methyl]sulfonyl-4-methylbenzene?
The canonical SMILES for 1-[(Z)-(2,2-difluoro-3,3-dimethylcyclopropylidene)methyl]sulfonyl-4-methylbenzene is Cc1ccc(S(=O)(=O)/C=C2/C(C)(C)C2(F)F)cc1.
What is the InChIKey of 1-[(Z)-(2,2-difluoro-3,3-dimethylcyclopropylidene)methyl]sulfonyl-4-methylbenzene?
The InChIKey is BGLSBXRNCNNBEW-FLIBITNWSA-N. The full InChI is InChI=1S/C13H14F2O2S/c1-9-4-6-10(7-5-9)18(16,17)8-11-12(2,3)13(11,14)15/h4-8H,1-3H3/b11-8-.
What are the key properties of 1-[(Z)-(2,2-difluoro-3,3-dimethylcyclopropylidene)methyl]sulfonyl-4-methylbenzene?
1-[(Z)-(2,2-difluoro-3,3-dimethylcyclopropylidene)methyl]sulfonyl-4-methylbenzene has a molecular weight of 272.32 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(2,2-difluoro-3,3-dimethylcyclopropylidene)methyl]sulfonyl-4-methylbenzene is sourced from PubChem (CID 102024705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).