(1-fluoro-3-methylcyclobutyl)methanesulfonyl chloride

C6H10ClFO2S — CID 167729412

IUPAC(1-fluoro-3-methylcyclobutyl)methanesulfonyl chloride
SMILESCC1CC(F)(CS(=O)(=O)Cl)C1
InChIInChI=1S/C6H10ClFO2S/c1-5-2-6(8,3-5)4-11(7,9)10/h5H,2-4H2,1H3
InChIKeyLWLXBZQWYVCDEN-UHFFFAOYSA-N
MW200.66 g/mol
LogP1.69
Rot. Bonds2

About (1-fluoro-3-methylcyclobutyl)methanesulfonyl chloride

(1-fluoro-3-methylcyclobutyl)methanesulfonyl chloride (PubChem CID 167729412) has the molecular formula C6H10ClFO2S and a molecular weight of 200.66 g/mol. Its IUPAC name is (1-fluoro-3-methylcyclobutyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(1-fluoro-3-methylcyclobutyl)methanesulfonyl chloride
PubChem CID167729412
Molecular FormulaC6H10ClFO2S
Molecular Weight200.66 g/mol
Exact Mass200.01
IUPAC Name(1-fluoro-3-methylcyclobutyl)methanesulfonyl chloride
SMILESCC1CC(F)(CS(=O)(=O)Cl)C1
InChIInChI=1S/C6H10ClFO2S/c1-5-2-6(8,3-5)4-11(7,9)10/h5H,2-4H2,1H3
InChIKeyLWLXBZQWYVCDEN-UHFFFAOYSA-N
XLogP1.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (1-fluoro-3-methylcyclobutyl)methanesulfonyl chloride?
The IUPAC name of (1-fluoro-3-methylcyclobutyl)methanesulfonyl chloride (CID 167729412) is (1-fluoro-3-methylcyclobutyl)methanesulfonyl chloride.
What is the SMILES notation for (1-fluoro-3-methylcyclobutyl)methanesulfonyl chloride?
The canonical SMILES for (1-fluoro-3-methylcyclobutyl)methanesulfonyl chloride is CC1CC(F)(CS(=O)(=O)Cl)C1.
What is the InChIKey of (1-fluoro-3-methylcyclobutyl)methanesulfonyl chloride?
The InChIKey is LWLXBZQWYVCDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClFO2S/c1-5-2-6(8,3-5)4-11(7,9)10/h5H,2-4H2,1H3.
What are the key properties of (1-fluoro-3-methylcyclobutyl)methanesulfonyl chloride?
(1-fluoro-3-methylcyclobutyl)methanesulfonyl chloride has a molecular weight of 200.66 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-3-methylcyclobutyl)methanesulfonyl chloride is sourced from PubChem (CID 167729412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).