1-(3,3,3-trifluoropropyl)cyclopropane-1-sulfonyl chloride

C6H8ClF3O2S — CID 165490510

IUPAC1-(3,3,3-trifluoropropyl)cyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(CCC(F)(F)F)CC1
InChIInChI=1S/C6H8ClF3O2S/c7-13(11,12)5(1-2-5)3-4-6(8,9)10/h1-4H2
InChIKeyMNZJQQRWUZPMQZ-UHFFFAOYSA-N
MW236.64 g/mol
LogP2.43
Rot. Bonds3

About 1-(3,3,3-trifluoropropyl)cyclopropane-1-sulfonyl chloride

1-(3,3,3-trifluoropropyl)cyclopropane-1-sulfonyl chloride (PubChem CID 165490510) has the molecular formula C6H8ClF3O2S and a molecular weight of 236.64 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)cyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)cyclopropane-1-sulfonyl chloride
PubChem CID165490510
Molecular FormulaC6H8ClF3O2S
Molecular Weight236.64 g/mol
Exact Mass235.99
IUPAC Name1-(3,3,3-trifluoropropyl)cyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(CCC(F)(F)F)CC1
InChIInChI=1S/C6H8ClF3O2S/c7-13(11,12)5(1-2-5)3-4-6(8,9)10/h1-4H2
InChIKeyMNZJQQRWUZPMQZ-UHFFFAOYSA-N
XLogP2.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.64
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Cyclopropyl-2,2-difluoropropane-1-sulfonyl chloride
CID 105473382
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-(2,3-Difluoropropyl)cyclopropane-1-sulfonic acid
CID 87577885
1-(3-Fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride
CID 91296314
1-(3-Fluoropropyl)cyclopropane-1-sulfonyl chloride
CID 144107899
3-Cyclopropyl-3,3-difluoropropane-1-sulfonyl chloride
CID 105473383
1-[(2,2-Difluorocyclopropyl)methyl]cyclopropane-1-sulfonyl chloride
CID 165489934
1-(4,4-Difluorobutyl)cyclopropane-1-sulfonyl chloride
CID 165489935
1-(2-Fluoroethyl)cyclopropane-1-sulfonyl chloride
CID 165490517
1-(2-Ethyl-4,4-difluorobutyl)cyclopropane-1-sulfonyl chloride
CID 165495032

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)cyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-(3,3,3-trifluoropropyl)cyclopropane-1-sulfonyl chloride (CID 165490510) is 1-(3,3,3-trifluoropropyl)cyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)cyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)cyclopropane-1-sulfonyl chloride is O=S(=O)(Cl)C1(CCC(F)(F)F)CC1.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)cyclopropane-1-sulfonyl chloride?
The InChIKey is MNZJQQRWUZPMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClF3O2S/c7-13(11,12)5(1-2-5)3-4-6(8,9)10/h1-4H2.
What are the key properties of 1-(3,3,3-trifluoropropyl)cyclopropane-1-sulfonyl chloride?
1-(3,3,3-trifluoropropyl)cyclopropane-1-sulfonyl chloride has a molecular weight of 236.64 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)cyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 165490510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).