N-decyl-1,1,1-trifluoromethanesulfonamide

C11H22F3NO2S — CID 87227692

IUPACN-decyl-1,1,1-trifluoromethanesulfonamide
SMILESCCCCCCCCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H22F3NO2S/c1-2-3-4-5-6-7-8-9-10-15-18(16,17)11(12,13)14/h15H,2-10H2,1H3
InChIKeyDRFCOTAPCXTTDY-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.57
Rot. Bonds10

About N-decyl-1,1,1-trifluoromethanesulfonamide

N-decyl-1,1,1-trifluoromethanesulfonamide (PubChem CID 87227692) has the molecular formula C11H22F3NO2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-decyl-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-decyl-1,1,1-trifluoromethanesulfonamide
PubChem CID87227692
Molecular FormulaC11H22F3NO2S
Molecular Weight289.36 g/mol
Exact Mass289.13
IUPAC NameN-decyl-1,1,1-trifluoromethanesulfonamide
SMILESCCCCCCCCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H22F3NO2S/c1-2-3-4-5-6-7-8-9-10-15-18(16,17)11(12,13)14/h15H,2-10H2,1H3
InChIKeyDRFCOTAPCXTTDY-UHFFFAOYSA-N
XLogP3.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-decyl-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-decyl-1,1,1-trifluoromethanesulfonamide (CID 87227692) is N-decyl-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-decyl-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-decyl-1,1,1-trifluoromethanesulfonamide is CCCCCCCCCCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-decyl-1,1,1-trifluoromethanesulfonamide?
The InChIKey is DRFCOTAPCXTTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO2S/c1-2-3-4-5-6-7-8-9-10-15-18(16,17)11(12,13)14/h15H,2-10H2,1H3.
What are the key properties of N-decyl-1,1,1-trifluoromethanesulfonamide?
N-decyl-1,1,1-trifluoromethanesulfonamide has a molecular weight of 289.36 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 87227692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).