[1-methyl-3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride

C7H10ClF3O2S — CID 155822605

IUPAC[1-methyl-3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride
SMILESCC1(CS(=O)(=O)Cl)CC(C(F)(F)F)C1
InChIInChI=1S/C7H10ClF3O2S/c1-6(4-14(8,12)13)2-5(3-6)7(9,10)11/h5H,2-4H2,1H3
InChIKeyOMEBBVGDJIUSQE-UHFFFAOYSA-N
MW250.67 g/mol
LogP2.53
Rot. Bonds2

About [1-methyl-3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride

[1-methyl-3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride (PubChem CID 155822605) has the molecular formula C7H10ClF3O2S and a molecular weight of 250.67 g/mol. Its IUPAC name is [1-methyl-3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-methyl-3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride
PubChem CID155822605
Molecular FormulaC7H10ClF3O2S
Molecular Weight250.67 g/mol
Exact Mass250.00
IUPAC Name[1-methyl-3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride
SMILESCC1(CS(=O)(=O)Cl)CC(C(F)(F)F)C1
InChIInChI=1S/C7H10ClF3O2S/c1-6(4-14(8,12)13)2-5(3-6)7(9,10)11/h5H,2-4H2,1H3
InChIKeyOMEBBVGDJIUSQE-UHFFFAOYSA-N
XLogP2.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.67
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride?
The IUPAC name of [1-methyl-3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride (CID 155822605) is [1-methyl-3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride.
What is the SMILES notation for [1-methyl-3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride?
The canonical SMILES for [1-methyl-3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride is CC1(CS(=O)(=O)Cl)CC(C(F)(F)F)C1.
What is the InChIKey of [1-methyl-3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride?
The InChIKey is OMEBBVGDJIUSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF3O2S/c1-6(4-14(8,12)13)2-5(3-6)7(9,10)11/h5H,2-4H2,1H3.
What are the key properties of [1-methyl-3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride?
[1-methyl-3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride has a molecular weight of 250.67 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride is sourced from PubChem (CID 155822605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).