1,2-difluoropropane;trifluoromethanesulfonyl chloride

C4H6ClF5O2S — CID 87990471

IUPAC1,2-difluoropropane;trifluoromethanesulfonyl chloride
SMILESCC(F)CF.O=S(=O)(Cl)C(F)(F)F
InChIInChI=1S/C3H6F2.CClF3O2S/c1-3(5)2-4;2-8(6,7)1(3,4)5/h3H,2H2,1H3;
InChIKeyDYNRZXLBLXMUIN-UHFFFAOYSA-N
MW248.60 g/mol
LogP2.39
Rot. Bonds1

About 1,2-difluoropropane;trifluoromethanesulfonyl chloride

1,2-difluoropropane;trifluoromethanesulfonyl chloride (PubChem CID 87990471) has the molecular formula C4H6ClF5O2S and a molecular weight of 248.60 g/mol. Its IUPAC name is 1,2-difluoropropane;trifluoromethanesulfonyl chloride.

Molecular Properties

Compound Name1,2-difluoropropane;trifluoromethanesulfonyl chloride
PubChem CID87990471
Molecular FormulaC4H6ClF5O2S
Molecular Weight248.60 g/mol
Exact Mass247.97
IUPAC Name1,2-difluoropropane;trifluoromethanesulfonyl chloride
SMILESCC(F)CF.O=S(=O)(Cl)C(F)(F)F
InChIInChI=1S/C3H6F2.CClF3O2S/c1-3(5)2-4;2-8(6,7)1(3,4)5/h3H,2H2,1H3;
InChIKeyDYNRZXLBLXMUIN-UHFFFAOYSA-N
XLogP2.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.60
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoropropane;trifluoromethanesulfonyl chloride?
The IUPAC name of 1,2-difluoropropane;trifluoromethanesulfonyl chloride (CID 87990471) is 1,2-difluoropropane;trifluoromethanesulfonyl chloride.
What is the SMILES notation for 1,2-difluoropropane;trifluoromethanesulfonyl chloride?
The canonical SMILES for 1,2-difluoropropane;trifluoromethanesulfonyl chloride is CC(F)CF.O=S(=O)(Cl)C(F)(F)F.
What is the InChIKey of 1,2-difluoropropane;trifluoromethanesulfonyl chloride?
The InChIKey is DYNRZXLBLXMUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2.CClF3O2S/c1-3(5)2-4;2-8(6,7)1(3,4)5/h3H,2H2,1H3;.
What are the key properties of 1,2-difluoropropane;trifluoromethanesulfonyl chloride?
1,2-difluoropropane;trifluoromethanesulfonyl chloride has a molecular weight of 248.60 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoropropane;trifluoromethanesulfonyl chloride is sourced from PubChem (CID 87990471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).