6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonamide

C9H18F3NO3S — CID 66277696

IUPAC6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonamide
SMILESCC(OCCCCCCS(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C9H18F3NO3S/c1-8(9(10,11)12)16-6-4-2-3-5-7-17(13,14)15/h8H,2-7H2,1H3,(H2,13,14,15)
InChIKeyUYWNZTVEFFVYAT-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.80
Rot. Bonds8

About 6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonamide

6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonamide (PubChem CID 66277696) has the molecular formula C9H18F3NO3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonamide.

Molecular Properties

Compound Name6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonamide
PubChem CID66277696
Molecular FormulaC9H18F3NO3S
Molecular Weight277.31 g/mol
Exact Mass277.10
IUPAC Name6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonamide
SMILESCC(OCCCCCCS(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C9H18F3NO3S/c1-8(9(10,11)12)16-6-4-2-3-5-7-17(13,14)15/h8H,2-7H2,1H3,(H2,13,14,15)
InChIKeyUYWNZTVEFFVYAT-UHFFFAOYSA-N
XLogP1.80
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2,2,2-Trifluoroethoxy)hexane-1-sulfonamide
CID 64198260
2-(1,1,1-Trifluoropropan-2-yloxymethyl)pentane-1-sulfonamide
CID 66274899
6-(1,1,1-Trifluoropropan-2-yloxy)hexane-1-sulfonyl chloride
CID 66277491
4-(1,1,1-Trifluoropropan-2-yloxy)butane-1-sulfonamide
CID 66277497
5-(1,1,1-Trifluoropropan-2-yloxy)pentane-1-sulfonamide
CID 66277498
3-Methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentane-1-sulfonamide
CID 66277695
6-(2,2-Difluoroethoxy)hexane-1-sulfonamide
CID 82009199
5-(4,4,4-Trifluorobutoxy)pentane-1-sulfonamide
CID 82794783
6-(4,4,4-Trifluorobutoxy)hexane-1-sulfonamide
CID 82795377
5-(3,3,3-Trifluoropropoxy)pentane-1-sulfonamide
CID 82957029
6-(3,3,3-Trifluoropropoxy)hexane-1-sulfonamide
CID 82958832
6-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)hexane-1-sulfonamide
CID 102723453

Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonamide?
The IUPAC name of 6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonamide (CID 66277696) is 6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonamide.
What is the SMILES notation for 6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonamide?
The canonical SMILES for 6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonamide is CC(OCCCCCCS(N)(=O)=O)C(F)(F)F.
What is the InChIKey of 6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonamide?
The InChIKey is UYWNZTVEFFVYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO3S/c1-8(9(10,11)12)16-6-4-2-3-5-7-17(13,14)15/h8H,2-7H2,1H3,(H2,13,14,15).
What are the key properties of 6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonamide?
6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonamide has a molecular weight of 277.31 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1-trifluoropropan-2-yloxy)hexane-1-sulfonamide is sourced from PubChem (CID 66277696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).