(2,2-difluoro-1-methylcyclopropyl)methanesulfonyl chloride

C5H7ClF2O2S — CID 122163796

IUPAC(2,2-difluoro-1-methylcyclopropyl)methanesulfonyl chloride
SMILESCC1(CS(=O)(=O)Cl)CC1(F)F
InChIInChI=1S/C5H7ClF2O2S/c1-4(2-5(4,7)8)3-11(6,9)10/h2-3H2,1H3
InChIKeyUNXFUUSULDRRGS-UHFFFAOYSA-N
MW204.62 g/mol
LogP1.60
Rot. Bonds2

About (2,2-difluoro-1-methylcyclopropyl)methanesulfonyl chloride

(2,2-difluoro-1-methylcyclopropyl)methanesulfonyl chloride (PubChem CID 122163796) has the molecular formula C5H7ClF2O2S and a molecular weight of 204.62 g/mol. Its IUPAC name is (2,2-difluoro-1-methylcyclopropyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2,2-difluoro-1-methylcyclopropyl)methanesulfonyl chloride
PubChem CID122163796
Molecular FormulaC5H7ClF2O2S
Molecular Weight204.62 g/mol
Exact Mass203.98
IUPAC Name(2,2-difluoro-1-methylcyclopropyl)methanesulfonyl chloride
SMILESCC1(CS(=O)(=O)Cl)CC1(F)F
InChIInChI=1S/C5H7ClF2O2S/c1-4(2-5(4,7)8)3-11(6,9)10/h2-3H2,1H3
InChIKeyUNXFUUSULDRRGS-UHFFFAOYSA-N
XLogP1.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.62
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-(Trifluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 55279242
(2,2-Difluorocyclopropyl)methanesulfonyl chloride
CID 55279478
(1-(Difluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 84672779
3,3-Difluoro-2,2-dimethylpropane-1-sulfonyl chloride
CID 84674725
3,3,3-Trifluoro-2,2-dimethylpropane-1-sulfonyl chloride
CID 84725562
4,4,4-Trifluoro-2,2-dimethylbutane-1-sulfonyl chloride
CID 84727799
4,4,4-Trifluoro-3,3-dimethylbutane-1-sulfonyl chloride
CID 84727800
2-(2,2-Difluorocyclopropyl)ethane-1-sulfonyl chloride
CID 122163794
(1-(1,1-Difluoroethyl)cyclopropyl)methanesulfonyl chloride
CID 138040905
rac-((1R,2R)-2-(trifluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 145915792
3,4,4,4-Tetrafluoro-3-methylbutane-1-sulfonyl chloride
CID 87159235
1-Cyclopropyl-2,2,2-trifluoroethanesulfonyl chloride
CID 87400947

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-1-methylcyclopropyl)methanesulfonyl chloride?
The IUPAC name of (2,2-difluoro-1-methylcyclopropyl)methanesulfonyl chloride (CID 122163796) is (2,2-difluoro-1-methylcyclopropyl)methanesulfonyl chloride.
What is the SMILES notation for (2,2-difluoro-1-methylcyclopropyl)methanesulfonyl chloride?
The canonical SMILES for (2,2-difluoro-1-methylcyclopropyl)methanesulfonyl chloride is CC1(CS(=O)(=O)Cl)CC1(F)F.
What is the InChIKey of (2,2-difluoro-1-methylcyclopropyl)methanesulfonyl chloride?
The InChIKey is UNXFUUSULDRRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClF2O2S/c1-4(2-5(4,7)8)3-11(6,9)10/h2-3H2,1H3.
What are the key properties of (2,2-difluoro-1-methylcyclopropyl)methanesulfonyl chloride?
(2,2-difluoro-1-methylcyclopropyl)methanesulfonyl chloride has a molecular weight of 204.62 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-1-methylcyclopropyl)methanesulfonyl chloride is sourced from PubChem (CID 122163796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).