1,1,2,2,10,10,10-heptafluorodecane-1-sulfonic acid;N-methylmethanamine

C12H22F7NO3S — CID 171922810

IUPAC1,1,2,2,10,10,10-heptafluorodecane-1-sulfonic acid;N-methylmethanamine
SMILESCNC.O=S(=O)(O)C(F)(F)C(F)(F)CCCCCCCC(F)(F)F
InChIInChI=1S/C10H15F7O3S.C2H7N/c11-8(12,10(16,17)21(18,19)20)6-4-2-1-3-5-7-9(13,14)15;1-3-2/h1-7H2,(H,18,19,20);3H,1-2H3
InChIKeyJDVNSYAWVFQXMN-UHFFFAOYSA-N
MW393.37 g/mol
LogP4.23
Rot. Bonds9

About 1,1,2,2,10,10,10-heptafluorodecane-1-sulfonic acid;N-methylmethanamine

1,1,2,2,10,10,10-heptafluorodecane-1-sulfonic acid;N-methylmethanamine (PubChem CID 171922810) has the molecular formula C12H22F7NO3S and a molecular weight of 393.37 g/mol. Its IUPAC name is 1,1,2,2,10,10,10-heptafluorodecane-1-sulfonic acid;N-methylmethanamine.

Molecular Properties

Compound Name1,1,2,2,10,10,10-heptafluorodecane-1-sulfonic acid;N-methylmethanamine
PubChem CID171922810
Molecular FormulaC12H22F7NO3S
Molecular Weight393.37 g/mol
Exact Mass393.12
IUPAC Name1,1,2,2,10,10,10-heptafluorodecane-1-sulfonic acid;N-methylmethanamine
SMILESCNC.O=S(=O)(O)C(F)(F)C(F)(F)CCCCCCCC(F)(F)F
InChIInChI=1S/C10H15F7O3S.C2H7N/c11-8(12,10(16,17)21(18,19)20)6-4-2-1-3-5-7-9(13,14)15;1-3-2/h1-7H2,(H,18,19,20);3H,1-2H3
InChIKeyJDVNSYAWVFQXMN-UHFFFAOYSA-N
XLogP4.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methylmethanamine;1,1,2,2,3,3,4,4,5,5,6,6,11,11,11-pentadecafluoroundecane-1-sulfonic acid
CID 171927807
N-methylmethanamine;1,1,12,12,12-pentafluorododecane-1-sulfonic acid
CID 171929245
azane;1,1,2,2,3,3,4,4,5,5,6,6,12,12,12-pentadecafluorododecane-1-sulfonic acid
CID 175159561
N-methylmethanamine;1,1,2,2,3,12,12,12-octafluorododecane-1-sulfonic acid
CID 171922644
azane;1,1,2,2,3,3,4,4,5,5,6,6,7,7,12,12,12-heptadecafluorododecane-1-sulfonic acid
CID 175161760
1,1,2,2,4,4,4-heptafluorobutane-1-sulfonic acid;N-methylmethanamine
CID 175157246
1,1,2,2,3,3,8,8,8-nonafluorooctane-1-sulfonic acid;tetraethylazanium
CID 175360661
N-methylmethanamine;1,1,2,2,3,8,8,8-octafluorooctane-1-sulfonic acid
CID 171922879
lithium 1,1,2,2,9,9,9-heptafluorononane-1-sulfonate
CID 141492633
1,1,2,2,11,11,11-heptafluoroundecane-1-sulfonate
CID 154492518
fluoro 1,1,2,2,6,6,6-heptafluorohexane-1-sulfonate;N-methylmethanamine
CID 174871702
1,1,8,8,8-pentafluorooctane-1-sulfonic acid
CID 141491851

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,10,10,10-heptafluorodecane-1-sulfonic acid;N-methylmethanamine?
The IUPAC name of 1,1,2,2,10,10,10-heptafluorodecane-1-sulfonic acid;N-methylmethanamine (CID 171922810) is 1,1,2,2,10,10,10-heptafluorodecane-1-sulfonic acid;N-methylmethanamine.
What is the SMILES notation for 1,1,2,2,10,10,10-heptafluorodecane-1-sulfonic acid;N-methylmethanamine?
The canonical SMILES for 1,1,2,2,10,10,10-heptafluorodecane-1-sulfonic acid;N-methylmethanamine is CNC.O=S(=O)(O)C(F)(F)C(F)(F)CCCCCCCC(F)(F)F.
What is the InChIKey of 1,1,2,2,10,10,10-heptafluorodecane-1-sulfonic acid;N-methylmethanamine?
The InChIKey is JDVNSYAWVFQXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F7O3S.C2H7N/c11-8(12,10(16,17)21(18,19)20)6-4-2-1-3-5-7-9(13,14)15;1-3-2/h1-7H2,(H,18,19,20);3H,1-2H3.
What are the key properties of 1,1,2,2,10,10,10-heptafluorodecane-1-sulfonic acid;N-methylmethanamine?
1,1,2,2,10,10,10-heptafluorodecane-1-sulfonic acid;N-methylmethanamine has a molecular weight of 393.37 g/mol, XLogP of 4.23, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,10,10,10-heptafluorodecane-1-sulfonic acid;N-methylmethanamine is sourced from PubChem (CID 171922810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).