2,2,2-trifluoro-N-(4-methylidenecyclohexyl)ethanesulfonamide

C9H14F3NO2S — CID 91027303

IUPAC2,2,2-trifluoro-N-(4-methylidenecyclohexyl)ethanesulfonamide
SMILESC=C1CCC(NS(=O)(=O)CC(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO2S/c1-7-2-4-8(5-3-7)13-16(14,15)6-9(10,11)12/h8,13H,1-6H2
InChIKeyOHCNGTQWLZWLDG-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.97
Rot. Bonds3

About 2,2,2-trifluoro-N-(4-methylidenecyclohexyl)ethanesulfonamide

2,2,2-trifluoro-N-(4-methylidenecyclohexyl)ethanesulfonamide (PubChem CID 91027303) has the molecular formula C9H14F3NO2S and a molecular weight of 257.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-methylidenecyclohexyl)ethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-methylidenecyclohexyl)ethanesulfonamide
PubChem CID91027303
Molecular FormulaC9H14F3NO2S
Molecular Weight257.28 g/mol
Exact Mass257.07
IUPAC Name2,2,2-trifluoro-N-(4-methylidenecyclohexyl)ethanesulfonamide
SMILESC=C1CCC(NS(=O)(=O)CC(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO2S/c1-7-2-4-8(5-3-7)13-16(14,15)6-9(10,11)12/h8,13H,1-6H2
InChIKeyOHCNGTQWLZWLDG-UHFFFAOYSA-N
XLogP1.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-methylidenecyclohexyl)ethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-methylidenecyclohexyl)ethanesulfonamide (CID 91027303) is 2,2,2-trifluoro-N-(4-methylidenecyclohexyl)ethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-methylidenecyclohexyl)ethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-methylidenecyclohexyl)ethanesulfonamide is C=C1CCC(NS(=O)(=O)CC(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-(4-methylidenecyclohexyl)ethanesulfonamide?
The InChIKey is OHCNGTQWLZWLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2S/c1-7-2-4-8(5-3-7)13-16(14,15)6-9(10,11)12/h8,13H,1-6H2.
What are the key properties of 2,2,2-trifluoro-N-(4-methylidenecyclohexyl)ethanesulfonamide?
2,2,2-trifluoro-N-(4-methylidenecyclohexyl)ethanesulfonamide has a molecular weight of 257.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-methylidenecyclohexyl)ethanesulfonamide is sourced from PubChem (CID 91027303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).