1,1,1-trifluoropentane-3-sulfonamide

C5H10F3NO2S — CID 154294642

IUPAC1,1,1-trifluoropentane-3-sulfonamide
SMILESCCC(CC(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C5H10F3NO2S/c1-2-4(12(9,10)11)3-5(6,7)8/h4H,2-3H2,1H3,(H2,9,10,11)
InChIKeyIGWGPPAJPZTCIR-UHFFFAOYSA-N
MW205.20 g/mol
LogP1.01
Rot. Bonds3

About 1,1,1-trifluoropentane-3-sulfonamide

1,1,1-trifluoropentane-3-sulfonamide (PubChem CID 154294642) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is 1,1,1-trifluoropentane-3-sulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoropentane-3-sulfonamide
PubChem CID154294642
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC Name1,1,1-trifluoropentane-3-sulfonamide
SMILESCCC(CC(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C5H10F3NO2S/c1-2-4(12(9,10)11)3-5(6,7)8/h4H,2-3H2,1H3,(H2,9,10,11)
InChIKeyIGWGPPAJPZTCIR-UHFFFAOYSA-N
XLogP1.01
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropentane-3-sulfonamide?
The IUPAC name of 1,1,1-trifluoropentane-3-sulfonamide (CID 154294642) is 1,1,1-trifluoropentane-3-sulfonamide.
What is the SMILES notation for 1,1,1-trifluoropentane-3-sulfonamide?
The canonical SMILES for 1,1,1-trifluoropentane-3-sulfonamide is CCC(CC(F)(F)F)S(N)(=O)=O.
What is the InChIKey of 1,1,1-trifluoropentane-3-sulfonamide?
The InChIKey is IGWGPPAJPZTCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c1-2-4(12(9,10)11)3-5(6,7)8/h4H,2-3H2,1H3,(H2,9,10,11).
What are the key properties of 1,1,1-trifluoropentane-3-sulfonamide?
1,1,1-trifluoropentane-3-sulfonamide has a molecular weight of 205.20 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoropentane-3-sulfonamide is sourced from PubChem (CID 154294642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).