1-[(E)-1,3-difluoroprop-1-enyl]sulfonyl-4-methylbenzene

C10H10F2O2S — CID 101142854

IUPAC1-[(E)-1,3-difluoroprop-1-enyl]sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)/C(F)=C/CF)cc1
InChIInChI=1S/C10H10F2O2S/c1-8-2-4-9(5-3-8)15(13,14)10(12)6-7-11/h2-6H,7H2,1H3/b10-6+
InChIKeyUHHGUEXDPOWZJD-UXBLZVDNSA-N
MW232.25 g/mol
LogP2.55
Rot. Bonds3

About 1-[(E)-1,3-difluoroprop-1-enyl]sulfonyl-4-methylbenzene

1-[(E)-1,3-difluoroprop-1-enyl]sulfonyl-4-methylbenzene (PubChem CID 101142854) has the molecular formula C10H10F2O2S and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-[(E)-1,3-difluoroprop-1-enyl]sulfonyl-4-methylbenzene.

Molecular Properties

Compound Name1-[(E)-1,3-difluoroprop-1-enyl]sulfonyl-4-methylbenzene
PubChem CID101142854
Molecular FormulaC10H10F2O2S
Molecular Weight232.25 g/mol
Exact Mass232.04
IUPAC Name1-[(E)-1,3-difluoroprop-1-enyl]sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)/C(F)=C/CF)cc1
InChIInChI=1S/C10H10F2O2S/c1-8-2-4-9(5-3-8)15(13,14)10(12)6-7-11/h2-6H,7H2,1H3/b10-6+
InChIKeyUHHGUEXDPOWZJD-UXBLZVDNSA-N
XLogP2.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

p-Toluenesulfonic acid
CID 6101
Diiodomethyl p-tolyl sulfone
CID 62738
4-Methylbenzenesulfonyl fluoride
CID 9965
Tosylmethyl isocyanide
CID 161915
4-Toluenesulfonyl chloride
CID 7397
Methyl p-toluenesulfonate
CID 6645
4-Ethylbenzenesulfonic acid
CID 7402
(2E)-3-(4-methylbenzenesulfonyl)prop-2-enenitrile
CID 5353431
Ethyl p-methylbenzenesulfonate
CID 6638
SC-57666
CID 443373
Benzene, ((phenylmethyl)sulfonyl)-,
CID 76561
p-Tolyl sulfoxide
CID 15680

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,3-difluoroprop-1-enyl]sulfonyl-4-methylbenzene?
The IUPAC name of 1-[(E)-1,3-difluoroprop-1-enyl]sulfonyl-4-methylbenzene (CID 101142854) is 1-[(E)-1,3-difluoroprop-1-enyl]sulfonyl-4-methylbenzene.
What is the SMILES notation for 1-[(E)-1,3-difluoroprop-1-enyl]sulfonyl-4-methylbenzene?
The canonical SMILES for 1-[(E)-1,3-difluoroprop-1-enyl]sulfonyl-4-methylbenzene is Cc1ccc(S(=O)(=O)/C(F)=C/CF)cc1.
What is the InChIKey of 1-[(E)-1,3-difluoroprop-1-enyl]sulfonyl-4-methylbenzene?
The InChIKey is UHHGUEXDPOWZJD-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H10F2O2S/c1-8-2-4-9(5-3-8)15(13,14)10(12)6-7-11/h2-6H,7H2,1H3/b10-6+.
What are the key properties of 1-[(E)-1,3-difluoroprop-1-enyl]sulfonyl-4-methylbenzene?
1-[(E)-1,3-difluoroprop-1-enyl]sulfonyl-4-methylbenzene has a molecular weight of 232.25 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,3-difluoroprop-1-enyl]sulfonyl-4-methylbenzene is sourced from PubChem (CID 101142854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).