1,2,2,3,3,4,4,5,5-nonafluoropentane-1-sulfonyl fluoride

C5H2F10O2S — CID 19695008

IUPAC1,2,2,3,3,4,4,5,5-nonafluoropentane-1-sulfonyl fluoride
SMILESO=S(=O)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5H2F10O2S/c6-1(7)3(9,10)5(13,14)4(11,12)2(8)18(15,16)17/h1-2H
InChIKeyOSJAZHVJKCRDIT-UHFFFAOYSA-N
MW316.12 g/mol
LogP2.75
Rot. Bonds5

About 1,2,2,3,3,4,4,5,5-nonafluoropentane-1-sulfonyl fluoride

1,2,2,3,3,4,4,5,5-nonafluoropentane-1-sulfonyl fluoride (PubChem CID 19695008) has the molecular formula C5H2F10O2S and a molecular weight of 316.12 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5-nonafluoropentane-1-sulfonyl fluoride.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5-nonafluoropentane-1-sulfonyl fluoride
PubChem CID19695008
Molecular FormulaC5H2F10O2S
Molecular Weight316.12 g/mol
Exact Mass315.96
IUPAC Name1,2,2,3,3,4,4,5,5-nonafluoropentane-1-sulfonyl fluoride
SMILESO=S(=O)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5H2F10O2S/c6-1(7)3(9,10)5(13,14)4(11,12)2(8)18(15,16)17/h1-2H
InChIKeyOSJAZHVJKCRDIT-UHFFFAOYSA-N
XLogP2.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.12
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2,2,3,3,4,4,5,5-nonafluoropentane-1-sulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethanesulfonyl fluoride, 1,2,2,2-tetrafluoro-
CID 160613
(Perfluoropentyl)methane-1-sulfonic acid
CID 139597513
2,2,2-Trifluoroethanesulfonyl fluoride
CID 12929868
1-Hexanesulfonyl chloride, 3,3,4,4,5,5,6,6,6-nonafluoro-
CID 119684
Pentanesulfonyl fluoride, 5-fluoro-
CID 67797
4:2 Fluorotelomer sulfonate
CID 20734542
4,4,5,5,5-Pentafluoropentane-1-sulfonyl chloride
CID 21973190
Sodium;3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonate
CID 155817542
3,3,3-Trifluoropropylenesulfonyl fluoride
CID 118682782
1,1,1,3,3,3-Hexafluoropropane-2-sulfonyl fluoride
CID 13397404
1,2,2,3,3,3-Hexafluoropropane-1-sulfonyl fluoride
CID 13661519
FT-sulfonic_acid; C4H3F7O3S
CID 17973436

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4,5,5-nonafluoropentane-1-sulfonyl fluoride?
The IUPAC name of 1,2,2,3,3,4,4,5,5-nonafluoropentane-1-sulfonyl fluoride (CID 19695008) is 1,2,2,3,3,4,4,5,5-nonafluoropentane-1-sulfonyl fluoride.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5-nonafluoropentane-1-sulfonyl fluoride?
The canonical SMILES for 1,2,2,3,3,4,4,5,5-nonafluoropentane-1-sulfonyl fluoride is O=S(=O)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,2,2,3,3,4,4,5,5-nonafluoropentane-1-sulfonyl fluoride?
The InChIKey is OSJAZHVJKCRDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F10O2S/c6-1(7)3(9,10)5(13,14)4(11,12)2(8)18(15,16)17/h1-2H.
What are the key properties of 1,2,2,3,3,4,4,5,5-nonafluoropentane-1-sulfonyl fluoride?
1,2,2,3,3,4,4,5,5-nonafluoropentane-1-sulfonyl fluoride has a molecular weight of 316.12 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5-nonafluoropentane-1-sulfonyl fluoride is sourced from PubChem (CID 19695008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).