difluoro-methyl-propyl-λ4-sulfane

C4H10F2S — CID 134267814

IUPACdifluoro-methyl-propyl-λ4-sulfane
SMILESCCCS(C)(F)F
InChIInChI=1S/C4H10F2S/c1-3-4-7(2,5)6/h3-4H2,1-2H3
InChIKeyZAUOTVSTRKWLPD-UHFFFAOYSA-N
MW128.19 g/mol
LogP2.60
Rot. Bonds2

About difluoro-methyl-propyl-λ4-sulfane

difluoro-methyl-propyl-λ4-sulfane (PubChem CID 134267814) has the molecular formula C4H10F2S and a molecular weight of 128.19 g/mol. Its IUPAC name is difluoro-methyl-propyl-λ4-sulfane.

Molecular Properties

Compound Namedifluoro-methyl-propyl-λ4-sulfane
PubChem CID134267814
Molecular FormulaC4H10F2S
Molecular Weight128.19 g/mol
Exact Mass128.05
IUPAC Namedifluoro-methyl-propyl-λ4-sulfane
SMILESCCCS(C)(F)F
InChIInChI=1S/C4H10F2S/c1-3-4-7(2,5)6/h3-4H2,1-2H3
InChIKeyZAUOTVSTRKWLPD-UHFFFAOYSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Butyl methyl sulfide
CID 12339
Methyl propyl sulphide
CID 19754
2-(Methylthio)butane
CID 93062
4,4,4-Trifluorobutyl methyl sulfide
CID 89333965
Butane, 1-[(trifluoromethyl)thio]-
CID 544786
2-Fluoro-3-methylsulfanylbutane
CID 13461361
Tetrafluoro(dipropyl)-lambda6-sulfane
CID 134896864
Difluoro(dipropyl)-lambda4-sulfane
CID 134994849
(R)-1-Methylpropylmethylsulfid
CID 7567733
1-Fluoro-4-methylsulfanylbutane
CID 13897869
1-Fluoro-3-methylsulfanylpropane
CID 53666964
Butyl(difluoromethyl) sulfide
CID 53901942

Frequently Asked Questions

What is the IUPAC name of difluoro-methyl-propyl-λ4-sulfane?
The IUPAC name of difluoro-methyl-propyl-λ4-sulfane (CID 134267814) is difluoro-methyl-propyl-λ4-sulfane.
What is the SMILES notation for difluoro-methyl-propyl-λ4-sulfane?
The canonical SMILES for difluoro-methyl-propyl-λ4-sulfane is CCCS(C)(F)F.
What is the InChIKey of difluoro-methyl-propyl-λ4-sulfane?
The InChIKey is ZAUOTVSTRKWLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10F2S/c1-3-4-7(2,5)6/h3-4H2,1-2H3.
What are the key properties of difluoro-methyl-propyl-λ4-sulfane?
difluoro-methyl-propyl-λ4-sulfane has a molecular weight of 128.19 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-methyl-propyl-λ4-sulfane is sourced from PubChem (CID 134267814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).