[1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonamide

C10H19F2NO3S — CID 82010399

IUPAC[1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonamide
SMILESNS(=O)(=O)CC1(COCC(F)F)CCCCC1
InChIInChI=1S/C10H19F2NO3S/c11-9(12)6-16-7-10(8-17(13,14)15)4-2-1-3-5-10/h9H,1-8H2,(H2,13,14,15)
InChIKeyDGDBUQGQDJCFRZ-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.51
Rot. Bonds6

About [1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonamide

[1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonamide (PubChem CID 82010399) has the molecular formula C10H19F2NO3S and a molecular weight of 271.33 g/mol. Its IUPAC name is [1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound Name[1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonamide
PubChem CID82010399
Molecular FormulaC10H19F2NO3S
Molecular Weight271.33 g/mol
Exact Mass271.11
IUPAC Name[1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonamide
SMILESNS(=O)(=O)CC1(COCC(F)F)CCCCC1
InChIInChI=1S/C10H19F2NO3S/c11-9(12)6-16-7-10(8-17(13,14)15)4-2-1-3-5-10/h9H,1-8H2,(H2,13,14,15)
InChIKeyDGDBUQGQDJCFRZ-UHFFFAOYSA-N
XLogP1.51
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methanesulfonamide
CID 65006896
[1-(2-methylpentoxymethyl)cyclohexyl]methanesulfonamide
CID 103285991
[1-(3-methylbutoxymethyl)cycloheptyl]methanesulfonamide
CID 65010385
[1-(2-methoxyethoxymethyl)cycloheptyl]methanesulfonamide
CID 65010433
[1-(cyclohexylmethoxymethyl)cycloheptyl]methanesulfonamide
CID 65009994
[1-(1-ethoxypropan-2-yloxymethyl)cycloheptyl]methanesulfonamide
CID 103491018
1-(2,2-difluoroethoxymethyl)cyclohexan-1-amine
CID 64574422
[1-(cycloheptyloxymethyl)cycloheptyl]methanesulfonamide
CID 65010094
[1-[(2,6-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide
CID 81265285
[1-(cyclobutyloxymethyl)cyclopentyl]methanesulfonamide
CID 65003105
[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonamide
CID 65005853
[1-(phenoxymethyl)cyclohexyl]methanesulfonamide
CID 65006602

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonamide?
The IUPAC name of [1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonamide (CID 82010399) is [1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonamide.
What is the SMILES notation for [1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonamide?
The canonical SMILES for [1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonamide is NS(=O)(=O)CC1(COCC(F)F)CCCCC1.
What is the InChIKey of [1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonamide?
The InChIKey is DGDBUQGQDJCFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO3S/c11-9(12)6-16-7-10(8-17(13,14)15)4-2-1-3-5-10/h9H,1-8H2,(H2,13,14,15).
What are the key properties of [1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonamide?
[1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonamide has a molecular weight of 271.33 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 82010399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).