1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclohexane

C11H21FO2S — CID 58814824

IUPAC1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclohexane
SMILESCC(C)CS(=O)(=O)C1(CF)CCCCC1
InChIInChI=1S/C11H21FO2S/c1-10(2)8-15(13,14)11(9-12)6-4-3-5-7-11/h10H,3-9H2,1-2H3
InChIKeyDWSNXXOSSCGRLH-UHFFFAOYSA-N
MW236.35 g/mol
LogP2.73
Rot. Bonds4

About 1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclohexane

1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclohexane (PubChem CID 58814824) has the molecular formula C11H21FO2S and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclohexane.

Molecular Properties

Compound Name1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclohexane
PubChem CID58814824
Molecular FormulaC11H21FO2S
Molecular Weight236.35 g/mol
Exact Mass236.12
IUPAC Name1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclohexane
SMILESCC(C)CS(=O)(=O)C1(CF)CCCCC1
InChIInChI=1S/C11H21FO2S/c1-10(2)8-15(13,14)11(9-12)6-4-3-5-7-11/h10H,3-9H2,1-2H3
InChIKeyDWSNXXOSSCGRLH-UHFFFAOYSA-N
XLogP2.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclohexane?
The IUPAC name of 1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclohexane (CID 58814824) is 1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclohexane.
What is the SMILES notation for 1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclohexane?
The canonical SMILES for 1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclohexane is CC(C)CS(=O)(=O)C1(CF)CCCCC1.
What is the InChIKey of 1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclohexane?
The InChIKey is DWSNXXOSSCGRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO2S/c1-10(2)8-15(13,14)11(9-12)6-4-3-5-7-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclohexane?
1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclohexane has a molecular weight of 236.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclohexane is sourced from PubChem (CID 58814824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).