9-(1,1,1-trifluoropropan-2-yloxy)nonane-1-sulfonamide

C12H24F3NO3S — CID 105343937

IUPAC9-(1,1,1-trifluoropropan-2-yloxy)nonane-1-sulfonamide
SMILESCC(OCCCCCCCCCS(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C12H24F3NO3S/c1-11(12(13,14)15)19-9-7-5-3-2-4-6-8-10-20(16,17)18/h11H,2-10H2,1H3,(H2,16,17,18)
InChIKeyLOSZGVGYRMSPKV-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.97
Rot. Bonds11

About 9-(1,1,1-trifluoropropan-2-yloxy)nonane-1-sulfonamide

9-(1,1,1-trifluoropropan-2-yloxy)nonane-1-sulfonamide (PubChem CID 105343937) has the molecular formula C12H24F3NO3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 9-(1,1,1-trifluoropropan-2-yloxy)nonane-1-sulfonamide.

Molecular Properties

Compound Name9-(1,1,1-trifluoropropan-2-yloxy)nonane-1-sulfonamide
PubChem CID105343937
Molecular FormulaC12H24F3NO3S
Molecular Weight319.39 g/mol
Exact Mass319.14
IUPAC Name9-(1,1,1-trifluoropropan-2-yloxy)nonane-1-sulfonamide
SMILESCC(OCCCCCCCCCS(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C12H24F3NO3S/c1-11(12(13,14)15)19-9-7-5-3-2-4-6-8-10-20(16,17)18/h11H,2-10H2,1H3,(H2,16,17,18)
InChIKeyLOSZGVGYRMSPKV-UHFFFAOYSA-N
XLogP2.97
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.97
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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Frequently Asked Questions

What is the IUPAC name of 9-(1,1,1-trifluoropropan-2-yloxy)nonane-1-sulfonamide?
The IUPAC name of 9-(1,1,1-trifluoropropan-2-yloxy)nonane-1-sulfonamide (CID 105343937) is 9-(1,1,1-trifluoropropan-2-yloxy)nonane-1-sulfonamide.
What is the SMILES notation for 9-(1,1,1-trifluoropropan-2-yloxy)nonane-1-sulfonamide?
The canonical SMILES for 9-(1,1,1-trifluoropropan-2-yloxy)nonane-1-sulfonamide is CC(OCCCCCCCCCS(N)(=O)=O)C(F)(F)F.
What is the InChIKey of 9-(1,1,1-trifluoropropan-2-yloxy)nonane-1-sulfonamide?
The InChIKey is LOSZGVGYRMSPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO3S/c1-11(12(13,14)15)19-9-7-5-3-2-4-6-8-10-20(16,17)18/h11H,2-10H2,1H3,(H2,16,17,18).
What are the key properties of 9-(1,1,1-trifluoropropan-2-yloxy)nonane-1-sulfonamide?
9-(1,1,1-trifluoropropan-2-yloxy)nonane-1-sulfonamide has a molecular weight of 319.39 g/mol, XLogP of 2.97, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,1,1-trifluoropropan-2-yloxy)nonane-1-sulfonamide is sourced from PubChem (CID 105343937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).