1-(cyclohexylmethoxy)-2,2,2-trifluoroethanesulfonamide

C9H16F3NO3S — CID 67127821

IUPAC1-(cyclohexylmethoxy)-2,2,2-trifluoroethanesulfonamide
SMILESNS(=O)(=O)C(OCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO3S/c10-9(11,12)8(17(13,14)15)16-6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H2,13,14,15)
InChIKeyTZCBTXFZDBWBDN-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.76
Rot. Bonds4

About 1-(cyclohexylmethoxy)-2,2,2-trifluoroethanesulfonamide

1-(cyclohexylmethoxy)-2,2,2-trifluoroethanesulfonamide (PubChem CID 67127821) has the molecular formula C9H16F3NO3S and a molecular weight of 275.29 g/mol. Its IUPAC name is 1-(cyclohexylmethoxy)-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound Name1-(cyclohexylmethoxy)-2,2,2-trifluoroethanesulfonamide
PubChem CID67127821
Molecular FormulaC9H16F3NO3S
Molecular Weight275.29 g/mol
Exact Mass275.08
IUPAC Name1-(cyclohexylmethoxy)-2,2,2-trifluoroethanesulfonamide
SMILESNS(=O)(=O)C(OCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO3S/c10-9(11,12)8(17(13,14)15)16-6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H2,13,14,15)
InChIKeyTZCBTXFZDBWBDN-UHFFFAOYSA-N
XLogP1.76
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethoxy)-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of 1-(cyclohexylmethoxy)-2,2,2-trifluoroethanesulfonamide (CID 67127821) is 1-(cyclohexylmethoxy)-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for 1-(cyclohexylmethoxy)-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for 1-(cyclohexylmethoxy)-2,2,2-trifluoroethanesulfonamide is NS(=O)(=O)C(OCC1CCCCC1)C(F)(F)F.
What is the InChIKey of 1-(cyclohexylmethoxy)-2,2,2-trifluoroethanesulfonamide?
The InChIKey is TZCBTXFZDBWBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3S/c10-9(11,12)8(17(13,14)15)16-6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H2,13,14,15).
What are the key properties of 1-(cyclohexylmethoxy)-2,2,2-trifluoroethanesulfonamide?
1-(cyclohexylmethoxy)-2,2,2-trifluoroethanesulfonamide has a molecular weight of 275.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethoxy)-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 67127821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).