1-cyclohexylsulfonyl-3-(fluoromethyl)azetidine

C10H18FNO2S — CID 121185064

IUPAC1-cyclohexylsulfonyl-3-(fluoromethyl)azetidine
SMILESO=S(=O)(C1CCCCC1)N1CC(CF)C1
InChIInChI=1S/C10H18FNO2S/c11-6-9-7-12(8-9)15(13,14)10-4-2-1-3-5-10/h9-10H,1-8H2
InChIKeyGGMJBMGOKSKWRF-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.55
Rot. Bonds3

About 1-cyclohexylsulfonyl-3-(fluoromethyl)azetidine

1-cyclohexylsulfonyl-3-(fluoromethyl)azetidine (PubChem CID 121185064) has the molecular formula C10H18FNO2S and a molecular weight of 235.32 g/mol. Its IUPAC name is 1-cyclohexylsulfonyl-3-(fluoromethyl)azetidine.

Molecular Properties

Compound Name1-cyclohexylsulfonyl-3-(fluoromethyl)azetidine
PubChem CID121185064
Molecular FormulaC10H18FNO2S
Molecular Weight235.32 g/mol
Exact Mass235.10
IUPAC Name1-cyclohexylsulfonyl-3-(fluoromethyl)azetidine
SMILESO=S(=O)(C1CCCCC1)N1CC(CF)C1
InChIInChI=1S/C10H18FNO2S/c11-6-9-7-12(8-9)15(13,14)10-4-2-1-3-5-10/h9-10H,1-8H2
InChIKeyGGMJBMGOKSKWRF-UHFFFAOYSA-N
XLogP1.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfonyl-3-(fluoromethyl)azetidine?
The IUPAC name of 1-cyclohexylsulfonyl-3-(fluoromethyl)azetidine (CID 121185064) is 1-cyclohexylsulfonyl-3-(fluoromethyl)azetidine.
What is the SMILES notation for 1-cyclohexylsulfonyl-3-(fluoromethyl)azetidine?
The canonical SMILES for 1-cyclohexylsulfonyl-3-(fluoromethyl)azetidine is O=S(=O)(C1CCCCC1)N1CC(CF)C1.
What is the InChIKey of 1-cyclohexylsulfonyl-3-(fluoromethyl)azetidine?
The InChIKey is GGMJBMGOKSKWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2S/c11-6-9-7-12(8-9)15(13,14)10-4-2-1-3-5-10/h9-10H,1-8H2.
What are the key properties of 1-cyclohexylsulfonyl-3-(fluoromethyl)azetidine?
1-cyclohexylsulfonyl-3-(fluoromethyl)azetidine has a molecular weight of 235.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfonyl-3-(fluoromethyl)azetidine is sourced from PubChem (CID 121185064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).