(NE)-N-(2,2-dimethylpropylidene)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide

C9H10F9NOS — CID 53342829

IUPAC(NE)-N-(2,2-dimethylpropylidene)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide
SMILESCC(C)(C)/C=N/S(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F9NOS/c1-5(2,3)4-19-21(20)9(17,18)7(12,13)6(10,11)8(14,15)16/h4H,1-3H3/b19-4+
InChIKeyBAQIGNUEYYZVFH-RMOCHZDMSA-N
MW351.23 g/mol
LogP4.19
Rot. Bonds4

About (NE)-N-(2,2-dimethylpropylidene)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide

(NE)-N-(2,2-dimethylpropylidene)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide (PubChem CID 53342829) has the molecular formula C9H10F9NOS and a molecular weight of 351.23 g/mol. Its IUPAC name is (NE)-N-(2,2-dimethylpropylidene)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide.

Molecular Properties

Compound Name(NE)-N-(2,2-dimethylpropylidene)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide
PubChem CID53342829
Molecular FormulaC9H10F9NOS
Molecular Weight351.23 g/mol
Exact Mass351.03
IUPAC Name(NE)-N-(2,2-dimethylpropylidene)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide
SMILESCC(C)(C)/C=N/S(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F9NOS/c1-5(2,3)4-19-21(20)9(17,18)7(12,13)6(10,11)8(14,15)16/h4H,1-3H3/b19-4+
InChIKeyBAQIGNUEYYZVFH-RMOCHZDMSA-N
XLogP4.19
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2,2-dimethylpropylidene)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide?
The IUPAC name of (NE)-N-(2,2-dimethylpropylidene)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide (CID 53342829) is (NE)-N-(2,2-dimethylpropylidene)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide.
What is the SMILES notation for (NE)-N-(2,2-dimethylpropylidene)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide?
The canonical SMILES for (NE)-N-(2,2-dimethylpropylidene)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide is CC(C)(C)/C=N/S(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (NE)-N-(2,2-dimethylpropylidene)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide?
The InChIKey is BAQIGNUEYYZVFH-RMOCHZDMSA-N. The full InChI is InChI=1S/C9H10F9NOS/c1-5(2,3)4-19-21(20)9(17,18)7(12,13)6(10,11)8(14,15)16/h4H,1-3H3/b19-4+.
What are the key properties of (NE)-N-(2,2-dimethylpropylidene)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide?
(NE)-N-(2,2-dimethylpropylidene)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide has a molecular weight of 351.23 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2,2-dimethylpropylidene)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide is sourced from PubChem (CID 53342829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).