1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfinamide

C5H4F9NOS — CID 549846

IUPAC1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfinamide
SMILESCNS(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F9NOS/c1-15-17(16)5(13,14)3(8,9)2(6,7)4(10,11)12/h15H,1H3
InChIKeyPTROXKPIEQDCST-UHFFFAOYSA-N
MW297.14 g/mol
LogP2.30
Rot. Bonds4

About 1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfinamide

1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfinamide (PubChem CID 549846) has the molecular formula C5H4F9NOS and a molecular weight of 297.14 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfinamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfinamide
PubChem CID549846
Molecular FormulaC5H4F9NOS
Molecular Weight297.14 g/mol
Exact Mass296.99
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfinamide
SMILESCNS(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F9NOS/c1-15-17(16)5(13,14)3(8,9)2(6,7)4(10,11)12/h15H,1H3
InChIKeyPTROXKPIEQDCST-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfinamide?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfinamide (CID 549846) is 1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfinamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfinamide?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfinamide is CNS(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfinamide?
The InChIKey is PTROXKPIEQDCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F9NOS/c1-15-17(16)5(13,14)3(8,9)2(6,7)4(10,11)12/h15H,1H3.
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfinamide?
1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfinamide has a molecular weight of 297.14 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfinamide is sourced from PubChem (CID 549846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).