fluoro 1,1,2,2,6,6,6-heptafluorohexane-1-sulfonate;N-methylmethanamine

C8H13F8NO3S — CID 174871702

IUPACfluoro 1,1,2,2,6,6,6-heptafluorohexane-1-sulfonate;N-methylmethanamine
SMILESCNC.O=S(=O)(OF)C(F)(F)C(F)(F)CCCC(F)(F)F
InChIInChI=1S/C6H6F8O3S.C2H7N/c7-4(8,2-1-3-5(9,10)11)6(12,13)18(15,16)17-14;1-3-2/h1-3H2;3H,1-2H3
InChIKeyVJBUJCZKSHQAGA-UHFFFAOYSA-N
MW355.25 g/mol
LogP3.01
Rot. Bonds6

About fluoro 1,1,2,2,6,6,6-heptafluorohexane-1-sulfonate;N-methylmethanamine

fluoro 1,1,2,2,6,6,6-heptafluorohexane-1-sulfonate;N-methylmethanamine (PubChem CID 174871702) has the molecular formula C8H13F8NO3S and a molecular weight of 355.25 g/mol. Its IUPAC name is fluoro 1,1,2,2,6,6,6-heptafluorohexane-1-sulfonate;N-methylmethanamine.

Molecular Properties

Compound Namefluoro 1,1,2,2,6,6,6-heptafluorohexane-1-sulfonate;N-methylmethanamine
PubChem CID174871702
Molecular FormulaC8H13F8NO3S
Molecular Weight355.25 g/mol
Exact Mass355.05
IUPAC Namefluoro 1,1,2,2,6,6,6-heptafluorohexane-1-sulfonate;N-methylmethanamine
SMILESCNC.O=S(=O)(OF)C(F)(F)C(F)(F)CCCC(F)(F)F
InChIInChI=1S/C6H6F8O3S.C2H7N/c7-4(8,2-1-3-5(9,10)11)6(12,13)18(15,16)17-14;1-3-2/h1-3H2;3H,1-2H3
InChIKeyVJBUJCZKSHQAGA-UHFFFAOYSA-N
XLogP3.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,10,10,10-heptafluorodecane-1-sulfonic acid;N-methylmethanamine
CID 171922810
N-methylmethanamine;1,1,2,2,3,3,4,4,5,5,6,6,11,11,11-pentadecafluoroundecane-1-sulfonic acid
CID 171927807
1,1,2,2,11,11,11-heptafluoroundecane-1-sulfonate
CID 154492518
lithium 1,1,2,2,9,9,9-heptafluorononane-1-sulfonate
CID 141492633
azanium 1,1,2,2,7,7,7-heptafluoroheptane-1-sulfonate
CID 141492423
N-methylmethanamine;1,1,12,12,12-pentafluorododecane-1-sulfonic acid
CID 171929245
azane;fluoro 4,4,4-trifluorobutane-1-sulfonate
CID 175312917
lithium;fluoro 1,1,2,2,2-pentafluoroethanesulfonate;hydride
CID 173320914
1,1,2,2,8,8,8-heptafluorooctane-1-sulfonate;tetraethylazanium
CID 141492168
methyl 10,10,10-trifluorodecane-1-sulfonate
CID 150831281
methyl (2R)-2-amino-6,6,6-trifluorohexanoate
CID 122585346
azanium 1,1,2,2,3,3,8,8,8-nonafluorooctane-1-sulfonate
CID 141492323

Frequently Asked Questions

What is the IUPAC name of fluoro 1,1,2,2,6,6,6-heptafluorohexane-1-sulfonate;N-methylmethanamine?
The IUPAC name of fluoro 1,1,2,2,6,6,6-heptafluorohexane-1-sulfonate;N-methylmethanamine (CID 174871702) is fluoro 1,1,2,2,6,6,6-heptafluorohexane-1-sulfonate;N-methylmethanamine.
What is the SMILES notation for fluoro 1,1,2,2,6,6,6-heptafluorohexane-1-sulfonate;N-methylmethanamine?
The canonical SMILES for fluoro 1,1,2,2,6,6,6-heptafluorohexane-1-sulfonate;N-methylmethanamine is CNC.O=S(=O)(OF)C(F)(F)C(F)(F)CCCC(F)(F)F.
What is the InChIKey of fluoro 1,1,2,2,6,6,6-heptafluorohexane-1-sulfonate;N-methylmethanamine?
The InChIKey is VJBUJCZKSHQAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8O3S.C2H7N/c7-4(8,2-1-3-5(9,10)11)6(12,13)18(15,16)17-14;1-3-2/h1-3H2;3H,1-2H3.
What are the key properties of fluoro 1,1,2,2,6,6,6-heptafluorohexane-1-sulfonate;N-methylmethanamine?
fluoro 1,1,2,2,6,6,6-heptafluorohexane-1-sulfonate;N-methylmethanamine has a molecular weight of 355.25 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 1,1,2,2,6,6,6-heptafluorohexane-1-sulfonate;N-methylmethanamine is sourced from PubChem (CID 174871702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).