5-(1,1,1-trifluoropropan-2-yloxy)pentane-1-sulfonamide

C8H16F3NO3S — CID 66277498

IUPAC5-(1,1,1-trifluoropropan-2-yloxy)pentane-1-sulfonamide
SMILESCC(OCCCCCS(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c1-7(8(9,10)11)15-5-3-2-4-6-16(12,13)14/h7H,2-6H2,1H3,(H2,12,13,14)
InChIKeyUSUNQUKELLKZMO-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.41
Rot. Bonds7

About 5-(1,1,1-trifluoropropan-2-yloxy)pentane-1-sulfonamide

5-(1,1,1-trifluoropropan-2-yloxy)pentane-1-sulfonamide (PubChem CID 66277498) has the molecular formula C8H16F3NO3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 5-(1,1,1-trifluoropropan-2-yloxy)pentane-1-sulfonamide.

Molecular Properties

Compound Name5-(1,1,1-trifluoropropan-2-yloxy)pentane-1-sulfonamide
PubChem CID66277498
Molecular FormulaC8H16F3NO3S
Molecular Weight263.28 g/mol
Exact Mass263.08
IUPAC Name5-(1,1,1-trifluoropropan-2-yloxy)pentane-1-sulfonamide
SMILESCC(OCCCCCS(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c1-7(8(9,10)11)15-5-3-2-4-6-16(12,13)14/h7H,2-6H2,1H3,(H2,12,13,14)
InChIKeyUSUNQUKELLKZMO-UHFFFAOYSA-N
XLogP1.41
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.41
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 5-(1,1,1-trifluoropropan-2-yloxy)pentane-1-sulfonamide?
The IUPAC name of 5-(1,1,1-trifluoropropan-2-yloxy)pentane-1-sulfonamide (CID 66277498) is 5-(1,1,1-trifluoropropan-2-yloxy)pentane-1-sulfonamide.
What is the SMILES notation for 5-(1,1,1-trifluoropropan-2-yloxy)pentane-1-sulfonamide?
The canonical SMILES for 5-(1,1,1-trifluoropropan-2-yloxy)pentane-1-sulfonamide is CC(OCCCCCS(N)(=O)=O)C(F)(F)F.
What is the InChIKey of 5-(1,1,1-trifluoropropan-2-yloxy)pentane-1-sulfonamide?
The InChIKey is USUNQUKELLKZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO3S/c1-7(8(9,10)11)15-5-3-2-4-6-16(12,13)14/h7H,2-6H2,1H3,(H2,12,13,14).
What are the key properties of 5-(1,1,1-trifluoropropan-2-yloxy)pentane-1-sulfonamide?
5-(1,1,1-trifluoropropan-2-yloxy)pentane-1-sulfonamide has a molecular weight of 263.28 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1-trifluoropropan-2-yloxy)pentane-1-sulfonamide is sourced from PubChem (CID 66277498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).