2-[(1R)-2,2-difluorocyclopropyl]ethanesulfonyl chloride

C5H7ClF2O2S — CID 125424325

IUPAC2-[(1R)-2,2-difluorocyclopropyl]ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC[C@H]1CC1(F)F
InChIInChI=1S/C5H7ClF2O2S/c6-11(9,10)2-1-4-3-5(4,7)8/h4H,1-3H2/t4-/m0/s1
InChIKeyVASICXQHFFQDNC-BYPYZUCNSA-N
MW204.62 g/mol
LogP1.60
Rot. Bonds3

About 2-[(1R)-2,2-difluorocyclopropyl]ethanesulfonyl chloride

2-[(1R)-2,2-difluorocyclopropyl]ethanesulfonyl chloride (PubChem CID 125424325) has the molecular formula C5H7ClF2O2S and a molecular weight of 204.62 g/mol. Its IUPAC name is 2-[(1R)-2,2-difluorocyclopropyl]ethanesulfonyl chloride.

Molecular Properties

Compound Name2-[(1R)-2,2-difluorocyclopropyl]ethanesulfonyl chloride
PubChem CID125424325
Molecular FormulaC5H7ClF2O2S
Molecular Weight204.62 g/mol
Exact Mass203.98
IUPAC Name2-[(1R)-2,2-difluorocyclopropyl]ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC[C@H]1CC1(F)F
InChIInChI=1S/C5H7ClF2O2S/c6-11(9,10)2-1-4-3-5(4,7)8/h4H,1-3H2/t4-/m0/s1
InChIKeyVASICXQHFFQDNC-BYPYZUCNSA-N
XLogP1.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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
(3,3-Difluorocyclobutyl)methanesulfonyl chloride
CID 90355675
3-(Difluoromethyl)cyclobutane-1-sulfonyl chloride
CID 118868806
(1-(Difluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 84672779
2-Cyclopropyl-2-fluoroethane-1-sulfonyl chloride
CID 105442390
3-Cyclopropyl-2,2-difluoropropane-1-sulfonyl chloride
CID 105473382
2-(2,2-Difluorocyclopropyl)ethane-1-sulfonyl chloride
CID 122163794
(2,2-Difluoro-1-methylcyclopropyl)methanesulfonyl chloride
CID 122163796
3-(Trifluoromethyl)cyclobutane-1-sulfonyl chloride
CID 131196495
rac-((1R,2R)-2-(fluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 137963782
rac-((1R,2R)-2-(1,1-difluoroethyl)cyclopropyl)methanesulfonyl chloride
CID 138987483

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2,2-difluorocyclopropyl]ethanesulfonyl chloride?
The IUPAC name of 2-[(1R)-2,2-difluorocyclopropyl]ethanesulfonyl chloride (CID 125424325) is 2-[(1R)-2,2-difluorocyclopropyl]ethanesulfonyl chloride.
What is the SMILES notation for 2-[(1R)-2,2-difluorocyclopropyl]ethanesulfonyl chloride?
The canonical SMILES for 2-[(1R)-2,2-difluorocyclopropyl]ethanesulfonyl chloride is O=S(=O)(Cl)CC[C@H]1CC1(F)F.
What is the InChIKey of 2-[(1R)-2,2-difluorocyclopropyl]ethanesulfonyl chloride?
The InChIKey is VASICXQHFFQDNC-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H7ClF2O2S/c6-11(9,10)2-1-4-3-5(4,7)8/h4H,1-3H2/t4-/m0/s1.
What are the key properties of 2-[(1R)-2,2-difluorocyclopropyl]ethanesulfonyl chloride?
2-[(1R)-2,2-difluorocyclopropyl]ethanesulfonyl chloride has a molecular weight of 204.62 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2,2-difluorocyclopropyl]ethanesulfonyl chloride is sourced from PubChem (CID 125424325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).