N-(cyclohexylmethoxy)-1,1,1-trifluoromethanesulfonamide

C8H14F3NO3S — CID 67127752

IUPACN-(cyclohexylmethoxy)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NOCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C8H14F3NO3S/c9-8(10,11)16(13,14)12-15-6-7-4-2-1-3-5-7/h7,12H,1-6H2
InChIKeyBFASLPHDWGDSEO-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.94
Rot. Bonds4

About N-(cyclohexylmethoxy)-1,1,1-trifluoromethanesulfonamide

N-(cyclohexylmethoxy)-1,1,1-trifluoromethanesulfonamide (PubChem CID 67127752) has the molecular formula C8H14F3NO3S and a molecular weight of 261.26 g/mol. Its IUPAC name is N-(cyclohexylmethoxy)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethoxy)-1,1,1-trifluoromethanesulfonamide
PubChem CID67127752
Molecular FormulaC8H14F3NO3S
Molecular Weight261.26 g/mol
Exact Mass261.06
IUPAC NameN-(cyclohexylmethoxy)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NOCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C8H14F3NO3S/c9-8(10,11)16(13,14)12-15-6-7-4-2-1-3-5-7/h7,12H,1-6H2
InChIKeyBFASLPHDWGDSEO-UHFFFAOYSA-N
XLogP1.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethoxy)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(cyclohexylmethoxy)-1,1,1-trifluoromethanesulfonamide (CID 67127752) is N-(cyclohexylmethoxy)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(cyclohexylmethoxy)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(cyclohexylmethoxy)-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NOCC1CCCCC1)C(F)(F)F.
What is the InChIKey of N-(cyclohexylmethoxy)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is BFASLPHDWGDSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3S/c9-8(10,11)16(13,14)12-15-6-7-4-2-1-3-5-7/h7,12H,1-6H2.
What are the key properties of N-(cyclohexylmethoxy)-1,1,1-trifluoromethanesulfonamide?
N-(cyclohexylmethoxy)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 261.26 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethoxy)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 67127752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).