N-methylmethanamine;1,1,2,2,3,8,8,8-octafluorooctane-1-sulfonic acid

C10H17F8NO3S — CID 171922879

IUPACN-methylmethanamine;1,1,2,2,3,8,8,8-octafluorooctane-1-sulfonic acid
SMILESCNC.O=S(=O)(O)C(F)(F)C(F)(F)C(F)CCCCC(F)(F)F
InChIInChI=1S/C8H10F8O3S.C2H7N/c9-5(3-1-2-4-6(10,11)12)7(13,14)8(15,16)20(17,18)19;1-3-2/h5H,1-4H2,(H,17,18,19);3H,1-2H3
InChIKeyWKGJPOQACXHWMT-UHFFFAOYSA-N
MW383.30 g/mol
LogP3.40
Rot. Bonds7

About N-methylmethanamine;1,1,2,2,3,8,8,8-octafluorooctane-1-sulfonic acid

N-methylmethanamine;1,1,2,2,3,8,8,8-octafluorooctane-1-sulfonic acid (PubChem CID 171922879) has the molecular formula C10H17F8NO3S and a molecular weight of 383.30 g/mol. Its IUPAC name is N-methylmethanamine;1,1,2,2,3,8,8,8-octafluorooctane-1-sulfonic acid.

Molecular Properties

Compound NameN-methylmethanamine;1,1,2,2,3,8,8,8-octafluorooctane-1-sulfonic acid
PubChem CID171922879
Molecular FormulaC10H17F8NO3S
Molecular Weight383.30 g/mol
Exact Mass383.08
IUPAC NameN-methylmethanamine;1,1,2,2,3,8,8,8-octafluorooctane-1-sulfonic acid
SMILESCNC.O=S(=O)(O)C(F)(F)C(F)(F)C(F)CCCCC(F)(F)F
InChIInChI=1S/C8H10F8O3S.C2H7N/c9-5(3-1-2-4-6(10,11)12)7(13,14)8(15,16)20(17,18)19;1-3-2/h5H,1-4H2,(H,17,18,19);3H,1-2H3
InChIKeyWKGJPOQACXHWMT-UHFFFAOYSA-N
XLogP3.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 53.40
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;1,1,2,2,3,12,12,12-octafluorododecane-1-sulfonic acid
CID 171922644
N-methylmethanamine;1,1,2,2,3,3,4,4,5,5,6,12,12,12-tetradecafluorododecane-1-sulfonic acid
CID 171932052
N-methylmethanamine;1,1,2,2,3,3,4,4,5,5,6,10,10,10-tetradecafluorodecane-1-sulfonic acid
CID 171922704
azane;1,1,2,2,3,3,4,4,5,12,12,12-dodecafluorododecane-1-sulfonic acid
CID 175157494
lithium 1,1,2,2,3,9,9,9-octafluorononane-1-sulfonate
CID 141492125
1,1,2,2,10,10,10-heptafluorodecane-1-sulfonic acid;N-methylmethanamine
CID 171922810
1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonic acid;prop-2-en-1-amine
CID 175160264
1,1,2,2,3,3,4-heptafluorononane-1-sulfonic acid
CID 122480823
N-methylmethanamine;1,1,12,12,12-pentafluorododecane-1-sulfonic acid
CID 171929245
1,1,2,2,3,3,4-heptafluorododecane-1-sulfonic acid
CID 122480783
1,1,2,2,3,3,4,4,5,9,9,9-dodecafluorononane-1-sulfonic acid;prop-2-en-1-amine
CID 175529053
azane;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,11,11,11-octadecafluoroundecane-1-sulfonic acid
CID 175157637

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;1,1,2,2,3,8,8,8-octafluorooctane-1-sulfonic acid?
The IUPAC name of N-methylmethanamine;1,1,2,2,3,8,8,8-octafluorooctane-1-sulfonic acid (CID 171922879) is N-methylmethanamine;1,1,2,2,3,8,8,8-octafluorooctane-1-sulfonic acid.
What is the SMILES notation for N-methylmethanamine;1,1,2,2,3,8,8,8-octafluorooctane-1-sulfonic acid?
The canonical SMILES for N-methylmethanamine;1,1,2,2,3,8,8,8-octafluorooctane-1-sulfonic acid is CNC.O=S(=O)(O)C(F)(F)C(F)(F)C(F)CCCCC(F)(F)F.
What is the InChIKey of N-methylmethanamine;1,1,2,2,3,8,8,8-octafluorooctane-1-sulfonic acid?
The InChIKey is WKGJPOQACXHWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F8O3S.C2H7N/c9-5(3-1-2-4-6(10,11)12)7(13,14)8(15,16)20(17,18)19;1-3-2/h5H,1-4H2,(H,17,18,19);3H,1-2H3.
What are the key properties of N-methylmethanamine;1,1,2,2,3,8,8,8-octafluorooctane-1-sulfonic acid?
N-methylmethanamine;1,1,2,2,3,8,8,8-octafluorooctane-1-sulfonic acid has a molecular weight of 383.30 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;1,1,2,2,3,8,8,8-octafluorooctane-1-sulfonic acid is sourced from PubChem (CID 171922879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).