2-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride

C12H14ClFO3S — CID 175356625

IUPAC2-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccccc1C1CC(OCCF)C1
InChIInChI=1S/C12H14ClFO3S/c13-18(15,16)12-4-2-1-3-11(12)9-7-10(8-9)17-6-5-14/h1-4,9-10H,5-8H2
InChIKeyXBRIXHDKDLDRRG-UHFFFAOYSA-N
MW292.76 g/mol
LogP2.85
Rot. Bonds5

About 2-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride

2-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride (PubChem CID 175356625) has the molecular formula C12H14ClFO3S and a molecular weight of 292.76 g/mol. Its IUPAC name is 2-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride
PubChem CID175356625
Molecular FormulaC12H14ClFO3S
Molecular Weight292.76 g/mol
Exact Mass292.03
IUPAC Name2-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccccc1C1CC(OCCF)C1
InChIInChI=1S/C12H14ClFO3S/c13-18(15,16)12-4-2-1-3-11(12)9-7-10(8-9)17-6-5-14/h1-4,9-10H,5-8H2
InChIKeyXBRIXHDKDLDRRG-UHFFFAOYSA-N
XLogP2.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 88387851
CID 88387851
CID 130229293
CID 130229293
CID 130246374
CID 130246374
CID 130246611
CID 130246611
CID 176363943
CID 176363943
CID 66274895
CID 66274895
CID 84728927
CID 84728927
CID 84729733
CID 84729733
CID 84729734
CID 84729734
CID 84729735
CID 84729735
CID 84730358
CID 84730358
CID 84730359
CID 84730359

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride?
The IUPAC name of 2-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride (CID 175356625) is 2-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride.
What is the SMILES notation for 2-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride?
The canonical SMILES for 2-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride is O=S(=O)(Cl)c1ccccc1C1CC(OCCF)C1.
What is the InChIKey of 2-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride?
The InChIKey is XBRIXHDKDLDRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO3S/c13-18(15,16)12-4-2-1-3-11(12)9-7-10(8-9)17-6-5-14/h1-4,9-10H,5-8H2.
What are the key properties of 2-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride?
2-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride has a molecular weight of 292.76 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride is sourced from PubChem (CID 175356625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).