N,N-dimethylmethanamine;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid

C7H10F9NO3S — CID 171922670

IUPACN,N-dimethylmethanamine;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
SMILESCN(C)C.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF9O3S.C3H9N/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;1-4(2)3/h(H,14,15,16);1-3H3
InChIKeyIYWOUSAHIBBZAJ-UHFFFAOYSA-N
MW359.21 g/mol
LogP2.48
Rot. Bonds3

About N,N-dimethylmethanamine;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid

N,N-dimethylmethanamine;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid (PubChem CID 171922670) has the molecular formula C7H10F9NO3S and a molecular weight of 359.21 g/mol. Its IUPAC name is N,N-dimethylmethanamine;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid.

Molecular Properties

Compound NameN,N-dimethylmethanamine;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
PubChem CID171922670
Molecular FormulaC7H10F9NO3S
Molecular Weight359.21 g/mol
Exact Mass359.02
IUPAC NameN,N-dimethylmethanamine;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
SMILESCN(C)C.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF9O3S.C3H9N/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;1-4(2)3/h(H,14,15,16);1-3H3
InChIKeyIYWOUSAHIBBZAJ-UHFFFAOYSA-N
XLogP2.48
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid?
The IUPAC name of N,N-dimethylmethanamine;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid (CID 171922670) is N,N-dimethylmethanamine;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid.
What is the SMILES notation for N,N-dimethylmethanamine;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid?
The canonical SMILES for N,N-dimethylmethanamine;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid is CN(C)C.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N,N-dimethylmethanamine;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid?
The InChIKey is IYWOUSAHIBBZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF9O3S.C3H9N/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;1-4(2)3/h(H,14,15,16);1-3H3.
What are the key properties of N,N-dimethylmethanamine;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid?
N,N-dimethylmethanamine;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid has a molecular weight of 359.21 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid is sourced from PubChem (CID 171922670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).