5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentane-1-sulfonamide

C9H15F6NO3S — CID 102723452

IUPAC5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentane-1-sulfonamide
SMILESCC(CCOC(C(F)(F)F)C(F)(F)F)CCS(N)(=O)=O
InChIInChI=1S/C9H15F6NO3S/c1-6(3-5-20(16,17)18)2-4-19-7(8(10,11)12)9(13,14)15/h6-7H,2-5H2,1H3,(H2,16,17,18)
InChIKeyWCYQUPHVKMVDNQ-UHFFFAOYSA-N
MW331.28 g/mol
LogP2.20
Rot. Bonds7

About 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentane-1-sulfonamide

5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentane-1-sulfonamide (PubChem CID 102723452) has the molecular formula C9H15F6NO3S and a molecular weight of 331.28 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentane-1-sulfonamide.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentane-1-sulfonamide
PubChem CID102723452
Molecular FormulaC9H15F6NO3S
Molecular Weight331.28 g/mol
Exact Mass331.07
IUPAC Name5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentane-1-sulfonamide
SMILESCC(CCOC(C(F)(F)F)C(F)(F)F)CCS(N)(=O)=O
InChIInChI=1S/C9H15F6NO3S/c1-6(3-5-20(16,17)18)2-4-19-7(8(10,11)12)9(13,14)15/h6-7H,2-5H2,1H3,(H2,16,17,18)
InChIKeyWCYQUPHVKMVDNQ-UHFFFAOYSA-N
XLogP2.20
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentane-1-sulfonamide?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentane-1-sulfonamide (CID 102723452) is 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentane-1-sulfonamide.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentane-1-sulfonamide?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentane-1-sulfonamide is CC(CCOC(C(F)(F)F)C(F)(F)F)CCS(N)(=O)=O.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentane-1-sulfonamide?
The InChIKey is WCYQUPHVKMVDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F6NO3S/c1-6(3-5-20(16,17)18)2-4-19-7(8(10,11)12)9(13,14)15/h6-7H,2-5H2,1H3,(H2,16,17,18).
What are the key properties of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentane-1-sulfonamide?
5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentane-1-sulfonamide has a molecular weight of 331.28 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentane-1-sulfonamide is sourced from PubChem (CID 102723452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).