[1-(fluoromethyl)cyclobutyl]methanesulfonyl chloride

C6H10ClFO2S — CID 84669718

IUPAC[1-(fluoromethyl)cyclobutyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(CF)CCC1
InChIInChI=1S/C6H10ClFO2S/c7-11(9,10)5-6(4-8)2-1-3-6/h1-5H2
InChIKeyAGCQMPOHVXKTNT-UHFFFAOYSA-N
MW200.66 g/mol
LogP1.69
Rot. Bonds3

About [1-(fluoromethyl)cyclobutyl]methanesulfonyl chloride

[1-(fluoromethyl)cyclobutyl]methanesulfonyl chloride (PubChem CID 84669718) has the molecular formula C6H10ClFO2S and a molecular weight of 200.66 g/mol. Its IUPAC name is [1-(fluoromethyl)cyclobutyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(fluoromethyl)cyclobutyl]methanesulfonyl chloride
PubChem CID84669718
Molecular FormulaC6H10ClFO2S
Molecular Weight200.66 g/mol
Exact Mass200.01
IUPAC Name[1-(fluoromethyl)cyclobutyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(CF)CCC1
InChIInChI=1S/C6H10ClFO2S/c7-11(9,10)5-6(4-8)2-1-3-6/h1-5H2
InChIKeyAGCQMPOHVXKTNT-UHFFFAOYSA-N
XLogP1.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

[1-(methoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003085
(1-ethylcyclopropyl)methanesulfonyl chloride
CID 84658824
[1-(difluoromethyl)cyclobutyl]methanesulfonyl chloride
CID 84684212
[1-(1,1-difluoroethyl)cyclobutyl]methanesulfonyl chloride
CID 146049020
[1-(cyclopropyloxymethyl)cyclohexyl]methanesulfonyl chloride
CID 165499057
[1-(propan-2-yloxymethyl)cycloheptyl]methanesulfonyl chloride
CID 65010286
[1-(3,3,3-trifluoropropoxymethyl)cyclohexyl]methanesulfonyl chloride
CID 82959382
1,1-bis(fluoromethyl)cyclohexane
CID 58341484
(1-cyanocyclobutyl)methanesulfonyl chloride
CID 75480697
[1-[(4-fluorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride
CID 65001575
[1-(4,4,4-trifluorobutoxymethyl)cyclohexyl]methanesulfonyl chloride
CID 82793786
[1-(2-methylpentoxymethyl)cycloheptyl]methanesulfonyl chloride
CID 103285988

Frequently Asked Questions

What is the IUPAC name of [1-(fluoromethyl)cyclobutyl]methanesulfonyl chloride?
The IUPAC name of [1-(fluoromethyl)cyclobutyl]methanesulfonyl chloride (CID 84669718) is [1-(fluoromethyl)cyclobutyl]methanesulfonyl chloride.
What is the SMILES notation for [1-(fluoromethyl)cyclobutyl]methanesulfonyl chloride?
The canonical SMILES for [1-(fluoromethyl)cyclobutyl]methanesulfonyl chloride is O=S(=O)(Cl)CC1(CF)CCC1.
What is the InChIKey of [1-(fluoromethyl)cyclobutyl]methanesulfonyl chloride?
The InChIKey is AGCQMPOHVXKTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClFO2S/c7-11(9,10)5-6(4-8)2-1-3-6/h1-5H2.
What are the key properties of [1-(fluoromethyl)cyclobutyl]methanesulfonyl chloride?
[1-(fluoromethyl)cyclobutyl]methanesulfonyl chloride has a molecular weight of 200.66 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(fluoromethyl)cyclobutyl]methanesulfonyl chloride is sourced from PubChem (CID 84669718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).