[3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride

C6H8ClF3O2S — CID 138987509

IUPAC[3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CC(C(F)(F)F)C1
InChIInChI=1S/C6H8ClF3O2S/c7-13(11,12)3-4-1-5(2-4)6(8,9)10/h4-5H,1-3H2
InChIKeyBYGZXLJDUCZBDB-UHFFFAOYSA-N
MW236.64 g/mol
LogP2.14
Rot. Bonds2

About [3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride

[3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride (PubChem CID 138987509) has the molecular formula C6H8ClF3O2S and a molecular weight of 236.64 g/mol. Its IUPAC name is [3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride
PubChem CID138987509
Molecular FormulaC6H8ClF3O2S
Molecular Weight236.64 g/mol
Exact Mass235.99
IUPAC Name[3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CC(C(F)(F)F)C1
InChIInChI=1S/C6H8ClF3O2S/c7-13(11,12)3-4-1-5(2-4)6(8,9)10/h4-5H,1-3H2
InChIKeyBYGZXLJDUCZBDB-UHFFFAOYSA-N
XLogP2.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.64
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Fluorocyclobutyl)methanesulfonyl chloride
CID 119031264
(3,3-Difluorocyclobutyl)methanesulfonyl chloride
CID 90355675
3-(Difluoromethyl)cyclobutane-1-sulfonyl chloride
CID 118868806
(3-Fluorocyclobutyl)methanesulfonyl chloride
CID 126688657
(3-Fluoro-3-methylcyclobutyl)methanesulfonyl chloride
CID 177183782
(1-(Difluoromethyl)cyclobutyl)methanesulfonyl chloride
CID 84684212
3-Cyclopropyl-2,2-difluoropropane-1-sulfonyl chloride
CID 105473382
2,2-Difluoro-4-methylpentane-1-sulfonyl chloride
CID 105476859
(1-(Trifluoromethyl)cyclobutyl)methanesulfonyl chloride
CID 125424288
3-(Trifluoromethyl)cyclobutane-1-sulfonyl chloride
CID 131196495
2-Ethyl-4,4,4-trifluorobutane-1-sulfonyl chloride
CID 132427836
2-Ethyl-4,4-difluorobutane-1-sulfonyl chloride
CID 137698809

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride?
The IUPAC name of [3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride (CID 138987509) is [3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride.
What is the SMILES notation for [3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride?
The canonical SMILES for [3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride is O=S(=O)(Cl)CC1CC(C(F)(F)F)C1.
What is the InChIKey of [3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride?
The InChIKey is BYGZXLJDUCZBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClF3O2S/c7-13(11,12)3-4-1-5(2-4)6(8,9)10/h4-5H,1-3H2.
What are the key properties of [3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride?
[3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride has a molecular weight of 236.64 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride is sourced from PubChem (CID 138987509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).