(2,2-difluorocyclopropyl)methanesulfonyl chloride

C4H5ClF2O2S — CID 55279478

IUPAC(2,2-difluorocyclopropyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CC1(F)F
InChIInChI=1S/C4H5ClF2O2S/c5-10(8,9)2-3-1-4(3,6)7/h3H,1-2H2
InChIKeyXRXKSUNMDGPHDA-UHFFFAOYSA-N
MW190.60 g/mol
LogP1.21
Rot. Bonds2

About (2,2-difluorocyclopropyl)methanesulfonyl chloride

(2,2-difluorocyclopropyl)methanesulfonyl chloride (PubChem CID 55279478) has the molecular formula C4H5ClF2O2S and a molecular weight of 190.60 g/mol. Its IUPAC name is (2,2-difluorocyclopropyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2,2-difluorocyclopropyl)methanesulfonyl chloride
PubChem CID55279478
Molecular FormulaC4H5ClF2O2S
Molecular Weight190.60 g/mol
Exact Mass189.97
IUPAC Name(2,2-difluorocyclopropyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CC1(F)F
InChIInChI=1S/C4H5ClF2O2S/c5-10(8,9)2-3-1-4(3,6)7/h3H,1-2H2
InChIKeyXRXKSUNMDGPHDA-UHFFFAOYSA-N
XLogP1.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.60
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclopropyl)methanesulfonyl chloride?
The IUPAC name of (2,2-difluorocyclopropyl)methanesulfonyl chloride (CID 55279478) is (2,2-difluorocyclopropyl)methanesulfonyl chloride.
What is the SMILES notation for (2,2-difluorocyclopropyl)methanesulfonyl chloride?
The canonical SMILES for (2,2-difluorocyclopropyl)methanesulfonyl chloride is O=S(=O)(Cl)CC1CC1(F)F.
What is the InChIKey of (2,2-difluorocyclopropyl)methanesulfonyl chloride?
The InChIKey is XRXKSUNMDGPHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClF2O2S/c5-10(8,9)2-3-1-4(3,6)7/h3H,1-2H2.
What are the key properties of (2,2-difluorocyclopropyl)methanesulfonyl chloride?
(2,2-difluorocyclopropyl)methanesulfonyl chloride has a molecular weight of 190.60 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclopropyl)methanesulfonyl chloride is sourced from PubChem (CID 55279478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).