4-fluoro-2-methyl-1-propan-2-ylsulfonylcyclohexane

C10H19FO2S — CID 162451271

IUPAC4-fluoro-2-methyl-1-propan-2-ylsulfonylcyclohexane
SMILESCC1CC(F)CCC1S(=O)(=O)C(C)C
InChIInChI=1S/C10H19FO2S/c1-7(2)14(12,13)10-5-4-9(11)6-8(10)3/h7-10H,4-6H2,1-3H3
InChIKeyHOEDICNOQBEDFO-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.34
Rot. Bonds2

About 4-fluoro-2-methyl-1-propan-2-ylsulfonylcyclohexane

4-fluoro-2-methyl-1-propan-2-ylsulfonylcyclohexane (PubChem CID 162451271) has the molecular formula C10H19FO2S and a molecular weight of 222.32 g/mol. Its IUPAC name is 4-fluoro-2-methyl-1-propan-2-ylsulfonylcyclohexane.

Molecular Properties

Compound Name4-fluoro-2-methyl-1-propan-2-ylsulfonylcyclohexane
PubChem CID162451271
Molecular FormulaC10H19FO2S
Molecular Weight222.32 g/mol
Exact Mass222.11
IUPAC Name4-fluoro-2-methyl-1-propan-2-ylsulfonylcyclohexane
SMILESCC1CC(F)CCC1S(=O)(=O)C(C)C
InChIInChI=1S/C10H19FO2S/c1-7(2)14(12,13)10-5-4-9(11)6-8(10)3/h7-10H,4-6H2,1-3H3
InChIKeyHOEDICNOQBEDFO-UHFFFAOYSA-N
XLogP2.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-1-propan-2-ylsulfonylcyclohexane?
The IUPAC name of 4-fluoro-2-methyl-1-propan-2-ylsulfonylcyclohexane (CID 162451271) is 4-fluoro-2-methyl-1-propan-2-ylsulfonylcyclohexane.
What is the SMILES notation for 4-fluoro-2-methyl-1-propan-2-ylsulfonylcyclohexane?
The canonical SMILES for 4-fluoro-2-methyl-1-propan-2-ylsulfonylcyclohexane is CC1CC(F)CCC1S(=O)(=O)C(C)C.
What is the InChIKey of 4-fluoro-2-methyl-1-propan-2-ylsulfonylcyclohexane?
The InChIKey is HOEDICNOQBEDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO2S/c1-7(2)14(12,13)10-5-4-9(11)6-8(10)3/h7-10H,4-6H2,1-3H3.
What are the key properties of 4-fluoro-2-methyl-1-propan-2-ylsulfonylcyclohexane?
4-fluoro-2-methyl-1-propan-2-ylsulfonylcyclohexane has a molecular weight of 222.32 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-1-propan-2-ylsulfonylcyclohexane is sourced from PubChem (CID 162451271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).