1-(1,1-difluoropropylsulfonyl)-1,1-difluoropropane

C6H10F4O2S — CID 87625513

IUPAC1-(1,1-difluoropropylsulfonyl)-1,1-difluoropropane
SMILESCCC(F)(F)S(=O)(=O)C(F)(F)CC
InChIInChI=1S/C6H10F4O2S/c1-3-5(7,8)13(11,12)6(9,10)4-2/h3-4H2,1-2H3
InChIKeyWAODAXLUPOPMRQ-UHFFFAOYSA-N
MW222.20 g/mol
LogP2.41
Rot. Bonds4

About 1-(1,1-difluoropropylsulfonyl)-1,1-difluoropropane

1-(1,1-difluoropropylsulfonyl)-1,1-difluoropropane (PubChem CID 87625513) has the molecular formula C6H10F4O2S and a molecular weight of 222.20 g/mol. Its IUPAC name is 1-(1,1-difluoropropylsulfonyl)-1,1-difluoropropane.

Molecular Properties

Compound Name1-(1,1-difluoropropylsulfonyl)-1,1-difluoropropane
PubChem CID87625513
Molecular FormulaC6H10F4O2S
Molecular Weight222.20 g/mol
Exact Mass222.03
IUPAC Name1-(1,1-difluoropropylsulfonyl)-1,1-difluoropropane
SMILESCCC(F)(F)S(=O)(=O)C(F)(F)CC
InChIInChI=1S/C6H10F4O2S/c1-3-5(7,8)13(11,12)6(9,10)4-2/h3-4H2,1-2H3
InChIKeyWAODAXLUPOPMRQ-UHFFFAOYSA-N
XLogP2.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 59742437
1-[bis(trifluoromethylsulfonyl)methylsulfonyl]ethane
CID 89277222
1,1-bis(trifluoromethylsulfonyl)butan-1-ol
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2,3-bis(2,2,2-trifluoroethylsulfonyl)butane
CID 158437454
1-(trifluoromethylsulfanylsulfonyl)ethane
CID 139934250
propyl(trifluoromethylsulfonyl)phosphane
CID 146665742
fluoromethane;2-methylpropane;1,1,1-trifluoropropane
CID 161219441
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CID 123864509

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoropropylsulfonyl)-1,1-difluoropropane?
The IUPAC name of 1-(1,1-difluoropropylsulfonyl)-1,1-difluoropropane (CID 87625513) is 1-(1,1-difluoropropylsulfonyl)-1,1-difluoropropane.
What is the SMILES notation for 1-(1,1-difluoropropylsulfonyl)-1,1-difluoropropane?
The canonical SMILES for 1-(1,1-difluoropropylsulfonyl)-1,1-difluoropropane is CCC(F)(F)S(=O)(=O)C(F)(F)CC.
What is the InChIKey of 1-(1,1-difluoropropylsulfonyl)-1,1-difluoropropane?
The InChIKey is WAODAXLUPOPMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4O2S/c1-3-5(7,8)13(11,12)6(9,10)4-2/h3-4H2,1-2H3.
What are the key properties of 1-(1,1-difluoropropylsulfonyl)-1,1-difluoropropane?
1-(1,1-difluoropropylsulfonyl)-1,1-difluoropropane has a molecular weight of 222.20 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoropropylsulfonyl)-1,1-difluoropropane is sourced from PubChem (CID 87625513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).