3-cyclopropyl-2-fluoropropane-1-sulfonyl chloride

C6H10ClFO2S — CID 105453218

IUPAC3-cyclopropyl-2-fluoropropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CC(F)CC1CC1
InChIInChI=1S/C6H10ClFO2S/c7-11(9,10)4-6(8)3-5-1-2-5/h5-6H,1-4H2
InChIKeyHGMQBGRNTXFYJU-UHFFFAOYSA-N
MW200.66 g/mol
LogP1.69
Rot. Bonds4

About 3-cyclopropyl-2-fluoropropane-1-sulfonyl chloride

3-cyclopropyl-2-fluoropropane-1-sulfonyl chloride (PubChem CID 105453218) has the molecular formula C6H10ClFO2S and a molecular weight of 200.66 g/mol. Its IUPAC name is 3-cyclopropyl-2-fluoropropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-cyclopropyl-2-fluoropropane-1-sulfonyl chloride
PubChem CID105453218
Molecular FormulaC6H10ClFO2S
Molecular Weight200.66 g/mol
Exact Mass200.01
IUPAC Name3-cyclopropyl-2-fluoropropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CC(F)CC1CC1
InChIInChI=1S/C6H10ClFO2S/c7-11(9,10)4-6(8)3-5-1-2-5/h5-6H,1-4H2
InChIKeyHGMQBGRNTXFYJU-UHFFFAOYSA-N
XLogP1.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclopropylethane-1-sulfonyl chloride
CID 55279594
2-Cyclopropyl-2-fluoroethane-1-sulfonyl chloride
CID 105442390
(3-Fluorocyclopentyl)methanesulfonyl chloride
CID 105453217
3-Cyclopropyl-2,2-difluoropropane-1-sulfonyl chloride
CID 105473382
3-Cyclopropylpropane-1-sulfonyl chloride
CID 126970913
4-Cyclopropylbutane-1-sulfonyl chloride
CID 132327758
{1-Fluorospiro[2.3]hexan-5-yl}methanesulfonyl chloride
CID 137935937
rac-((1R,2R)-2-(fluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 137963782
rac-((1R,2R)-2-(1,1-difluoroethyl)cyclopropyl)methanesulfonyl chloride
CID 138987483
(R)-1-(2,3-Difluoropropyl)cyclopropane-1-sulfonyl chloride
CID 55279586
1-(2,3-Difluoropropyl)cyclopropane-1-sulfonyl chloride
CID 76223091
1-(3-Fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride
CID 91296314

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-fluoropropane-1-sulfonyl chloride?
The IUPAC name of 3-cyclopropyl-2-fluoropropane-1-sulfonyl chloride (CID 105453218) is 3-cyclopropyl-2-fluoropropane-1-sulfonyl chloride.
What is the SMILES notation for 3-cyclopropyl-2-fluoropropane-1-sulfonyl chloride?
The canonical SMILES for 3-cyclopropyl-2-fluoropropane-1-sulfonyl chloride is O=S(=O)(Cl)CC(F)CC1CC1.
What is the InChIKey of 3-cyclopropyl-2-fluoropropane-1-sulfonyl chloride?
The InChIKey is HGMQBGRNTXFYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClFO2S/c7-11(9,10)4-6(8)3-5-1-2-5/h5-6H,1-4H2.
What are the key properties of 3-cyclopropyl-2-fluoropropane-1-sulfonyl chloride?
3-cyclopropyl-2-fluoropropane-1-sulfonyl chloride has a molecular weight of 200.66 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-fluoropropane-1-sulfonyl chloride is sourced from PubChem (CID 105453218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).