[(1R,2R)-2-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride

C6H9ClF2O2S — CID 138987483

IUPAC[(1R,2R)-2-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride
SMILESCC(F)(F)[C@@H]1C[C@H]1CS(=O)(=O)Cl
InChIInChI=1S/C6H9ClF2O2S/c1-6(8,9)5-2-4(5)3-12(7,10)11/h4-5H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyYZJNPLJALAVPEP-CRCLSJGQSA-N
MW218.65 g/mol
LogP1.85
Rot. Bonds3

About [(1R,2R)-2-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride

[(1R,2R)-2-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride (PubChem CID 138987483) has the molecular formula C6H9ClF2O2S and a molecular weight of 218.65 g/mol. Its IUPAC name is [(1R,2R)-2-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[(1R,2R)-2-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride
PubChem CID138987483
Molecular FormulaC6H9ClF2O2S
Molecular Weight218.65 g/mol
Exact Mass218.00
IUPAC Name[(1R,2R)-2-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride
SMILESCC(F)(F)[C@@H]1C[C@H]1CS(=O)(=O)Cl
InChIInChI=1S/C6H9ClF2O2S/c1-6(8,9)5-2-4(5)3-12(7,10)11/h4-5H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyYZJNPLJALAVPEP-CRCLSJGQSA-N
XLogP1.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Cyclopropyl-2,2-difluoropropane-1-sulfonyl chloride
CID 105473382
2,2-Difluoro-4-methylpentane-1-sulfonyl chloride
CID 105476859
2-(2,2-Difluorocyclopropyl)ethane-1-sulfonyl chloride
CID 122163794
(2,2-Difluoro-3,3-dimethylcyclopropyl)methanesulfonyl chloride
CID 122163963
2-Ethyl-4,4,4-trifluorobutane-1-sulfonyl chloride
CID 132427836
2-Ethyl-4,4-difluorobutane-1-sulfonyl chloride
CID 137698809
{1,1-Difluorospiro[2.3]hexan-5-yl}methanesulfonyl chloride
CID 137964770
(1-(1,1-Difluoroethyl)cyclopropyl)methanesulfonyl chloride
CID 138040905
rac-((1R,2R)-2-(trifluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 145915792
1-Cyclopropyl-2,2,2-trifluoroethanesulfonyl chloride
CID 87400947
1-(3-Fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride
CID 91296314
2-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]ethanesulfonic acid
CID 138752154

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride?
The IUPAC name of [(1R,2R)-2-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride (CID 138987483) is [(1R,2R)-2-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride.
What is the SMILES notation for [(1R,2R)-2-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride?
The canonical SMILES for [(1R,2R)-2-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride is CC(F)(F)[C@@H]1C[C@H]1CS(=O)(=O)Cl.
What is the InChIKey of [(1R,2R)-2-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride?
The InChIKey is YZJNPLJALAVPEP-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H9ClF2O2S/c1-6(8,9)5-2-4(5)3-12(7,10)11/h4-5H,2-3H2,1H3/t4-,5+/m0/s1.
What are the key properties of [(1R,2R)-2-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride?
[(1R,2R)-2-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride has a molecular weight of 218.65 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride is sourced from PubChem (CID 138987483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).