2-(1,1-difluoroethylsulfinyl)propane

C5H10F2OS — CID 142124741

IUPAC2-(1,1-difluoroethylsulfinyl)propane
SMILESCC(C)S(=O)C(C)(F)F
InChIInChI=1S/C5H10F2OS/c1-4(2)9(8)5(3,6)7/h4H,1-3H3
InChIKeyVWYYURNIGUKIET-UHFFFAOYSA-N
MW156.20 g/mol
LogP1.76
Rot. Bonds2

About 2-(1,1-difluoroethylsulfinyl)propane

2-(1,1-difluoroethylsulfinyl)propane (PubChem CID 142124741) has the molecular formula C5H10F2OS and a molecular weight of 156.20 g/mol. Its IUPAC name is 2-(1,1-difluoroethylsulfinyl)propane.

Molecular Properties

Compound Name2-(1,1-difluoroethylsulfinyl)propane
PubChem CID142124741
Molecular FormulaC5H10F2OS
Molecular Weight156.20 g/mol
Exact Mass156.04
IUPAC Name2-(1,1-difluoroethylsulfinyl)propane
SMILESCC(C)S(=O)C(C)(F)F
InChIInChI=1S/C5H10F2OS/c1-4(2)9(8)5(3,6)7/h4H,1-3H3
InChIKeyVWYYURNIGUKIET-UHFFFAOYSA-N
XLogP1.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Fluoro-2-(2-fluoroethylsulfinyl)ethane
CID 87154501
Methylfluoromethylsulfoxide
CID 87154959
2-[2-(Trifluoromethylsulfinyl)ethylsulfanyl]propane
CID 135040258
1-(2,2,2-Trifluoroethylsulfonyl)butane
CID 13096090
2-Ethylsulfinyl-1,1,1-trifluoroethane
CID 17887966
2-(2,2,2-Trifluoroethylsulfonyl)butane
CID 20811122
1-(Trifluoromethylsulfinyl)hexane
CID 21730952
2-Methyl-2-(2,2,2-trifluoroethylsulfonyl)propane
CID 22958646
1,1,1,2,2-Pentafluoro-5-methylsulfinylpentane
CID 23537851
1,1,1-Trifluoro-2-(1,1,1-trifluoropropan-2-ylsulfonyl)propane
CID 53817320
Methyl((perfluoroethyl)methyl)sulfoxide
CID 53923405
1-Ethylsulfinyl-2-fluoroethane
CID 54332177

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethylsulfinyl)propane?
The IUPAC name of 2-(1,1-difluoroethylsulfinyl)propane (CID 142124741) is 2-(1,1-difluoroethylsulfinyl)propane.
What is the SMILES notation for 2-(1,1-difluoroethylsulfinyl)propane?
The canonical SMILES for 2-(1,1-difluoroethylsulfinyl)propane is CC(C)S(=O)C(C)(F)F.
What is the InChIKey of 2-(1,1-difluoroethylsulfinyl)propane?
The InChIKey is VWYYURNIGUKIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2OS/c1-4(2)9(8)5(3,6)7/h4H,1-3H3.
What are the key properties of 2-(1,1-difluoroethylsulfinyl)propane?
2-(1,1-difluoroethylsulfinyl)propane has a molecular weight of 156.20 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethylsulfinyl)propane is sourced from PubChem (CID 142124741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).