1,1-difluoro-1-prop-2-enylsulfonylpropane

C6H10F2O2S — CID 123474562

IUPAC1,1-difluoro-1-prop-2-enylsulfonylpropane
SMILESC=CCS(=O)(=O)C(F)(F)CC
InChIInChI=1S/C6H10F2O2S/c1-3-5-11(9,10)6(7,8)4-2/h3H,1,4-5H2,2H3
InChIKeyKURGWWMIBKUQSE-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.59
Rot. Bonds4

About 1,1-difluoro-1-prop-2-enylsulfonylpropane

1,1-difluoro-1-prop-2-enylsulfonylpropane (PubChem CID 123474562) has the molecular formula C6H10F2O2S and a molecular weight of 184.21 g/mol. Its IUPAC name is 1,1-difluoro-1-prop-2-enylsulfonylpropane.

Molecular Properties

Compound Name1,1-difluoro-1-prop-2-enylsulfonylpropane
PubChem CID123474562
Molecular FormulaC6H10F2O2S
Molecular Weight184.21 g/mol
Exact Mass184.04
IUPAC Name1,1-difluoro-1-prop-2-enylsulfonylpropane
SMILESC=CCS(=O)(=O)C(F)(F)CC
InChIInChI=1S/C6H10F2O2S/c1-3-5-11(9,10)6(7,8)4-2/h3H,1,4-5H2,2H3
InChIKeyKURGWWMIBKUQSE-UHFFFAOYSA-N
XLogP1.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,1,1,2,2,3,3,4,4-Nonafluoro-4-(prop-1-ene-1-sulfonyl)butane
CID 71369456
3-(Ethylsulphonyl)-1-propene
CID 141864
1,1,1,3,3,3-Hexafluoro-2-prop-2-enylsulfonylpropane
CID 13542549
3-(2,2,2-Trifluoroethylsulfonyl)prop-1-ene
CID 13542554
Allyl isopropyl sulfone
CID 21651114
1-Prop-1-enylsulfonylpropane
CID 86135283
3-(Trifluoromethanesulfonyl)prop-1-ene
CID 12598646
Perfluorobutyl 3-methyl-2-butenyl sulphone
CID 12905479
1-Methanesulfonyl-2,2-difluoro-3-butene
CID 19860699
3-Ethylsulfonyl-2-fluoroprop-1-ene
CID 59154792
3-Ethylsulfonyl-1,1-difluoroprop-1-ene
CID 59154946
1-(Trifluoromethanesulfonyl)prop-1-ene
CID 71392116

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-prop-2-enylsulfonylpropane?
The IUPAC name of 1,1-difluoro-1-prop-2-enylsulfonylpropane (CID 123474562) is 1,1-difluoro-1-prop-2-enylsulfonylpropane.
What is the SMILES notation for 1,1-difluoro-1-prop-2-enylsulfonylpropane?
The canonical SMILES for 1,1-difluoro-1-prop-2-enylsulfonylpropane is C=CCS(=O)(=O)C(F)(F)CC.
What is the InChIKey of 1,1-difluoro-1-prop-2-enylsulfonylpropane?
The InChIKey is KURGWWMIBKUQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O2S/c1-3-5-11(9,10)6(7,8)4-2/h3H,1,4-5H2,2H3.
What are the key properties of 1,1-difluoro-1-prop-2-enylsulfonylpropane?
1,1-difluoro-1-prop-2-enylsulfonylpropane has a molecular weight of 184.21 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-prop-2-enylsulfonylpropane is sourced from PubChem (CID 123474562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).