[1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonamide

C11H20F3NO3S — CID 66275110

IUPAC[1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonamide
SMILESCC(OCC1(CS(N)(=O)=O)CCCCC1)C(F)(F)F
InChIInChI=1S/C11H20F3NO3S/c1-9(11(12,13)14)18-7-10(8-19(15,16)17)5-3-2-4-6-10/h9H,2-8H2,1H3,(H2,15,16,17)
InChIKeyBVIIBGYSIOHKSF-UHFFFAOYSA-N
MW303.35 g/mol
LogP2.19
Rot. Bonds5

About [1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonamide

[1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonamide (PubChem CID 66275110) has the molecular formula C11H20F3NO3S and a molecular weight of 303.35 g/mol. Its IUPAC name is [1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound Name[1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonamide
PubChem CID66275110
Molecular FormulaC11H20F3NO3S
Molecular Weight303.35 g/mol
Exact Mass303.11
IUPAC Name[1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonamide
SMILESCC(OCC1(CS(N)(=O)=O)CCCCC1)C(F)(F)F
InChIInChI=1S/C11H20F3NO3S/c1-9(11(12,13)14)18-7-10(8-19(15,16)17)5-3-2-4-6-10/h9H,2-8H2,1H3,(H2,15,16,17)
InChIKeyBVIIBGYSIOHKSF-UHFFFAOYSA-N
XLogP2.19
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonamide?
The IUPAC name of [1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonamide (CID 66275110) is [1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonamide.
What is the SMILES notation for [1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonamide?
The canonical SMILES for [1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonamide is CC(OCC1(CS(N)(=O)=O)CCCCC1)C(F)(F)F.
What is the InChIKey of [1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonamide?
The InChIKey is BVIIBGYSIOHKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3S/c1-9(11(12,13)14)18-7-10(8-19(15,16)17)5-3-2-4-6-10/h9H,2-8H2,1H3,(H2,15,16,17).
What are the key properties of [1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonamide?
[1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonamide has a molecular weight of 303.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 66275110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).