8-fluorononadecane-8-sulfonic acid;N-methylmethanamine

C21H46FNO3S — CID 175161688

IUPAC8-fluorononadecane-8-sulfonic acid;N-methylmethanamine
SMILESCCCCCCCCCCCC(F)(CCCCCCC)S(=O)(=O)O.CNC
InChIInChI=1S/C19H39FO3S.C2H7N/c1-3-5-7-9-10-11-12-14-16-18-19(20,24(21,22)23)17-15-13-8-6-4-2;1-3-2/h3-18H2,1-2H3,(H,21,22,23);3H,1-2H3
InChIKeyRPFLFZXTFHHGRP-UHFFFAOYSA-N
MW411.67 g/mol
LogP6.66
Rot. Bonds17

About 8-fluorononadecane-8-sulfonic acid;N-methylmethanamine

8-fluorononadecane-8-sulfonic acid;N-methylmethanamine (PubChem CID 175161688) has the molecular formula C21H46FNO3S and a molecular weight of 411.67 g/mol. Its IUPAC name is 8-fluorononadecane-8-sulfonic acid;N-methylmethanamine.

Molecular Properties

Compound Name8-fluorononadecane-8-sulfonic acid;N-methylmethanamine
PubChem CID175161688
Molecular FormulaC21H46FNO3S
Molecular Weight411.67 g/mol
Exact Mass411.32
IUPAC Name8-fluorononadecane-8-sulfonic acid;N-methylmethanamine
SMILESCCCCCCCCCCCC(F)(CCCCCCC)S(=O)(=O)O.CNC
InChIInChI=1S/C19H39FO3S.C2H7N/c1-3-5-7-9-10-11-12-14-16-18-19(20,24(21,22)23)17-15-13-8-6-4-2;1-3-2/h3-18H2,1-2H3,(H,21,22,23);3H,1-2H3
InChIKeyRPFLFZXTFHHGRP-UHFFFAOYSA-N
XLogP6.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.67
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

12-fluorotriacontane-12-sulfonic acid;N-methylmethanamine
CID 175529094
9-fluoropentacosane-9-sulfonic acid;prop-2-en-1-amine
CID 175529403
7-fluorooctadecane-7-sulfonic acid;prop-2-en-1-amine
CID 175162479
tricosane;trifluoromethanesulfonic acid
CID 161255361
9-octylheptadecan-9-ylphosphane;trifluoromethanesulfonic acid
CID 173110087
21-undecyltritetracontane-21-sulfonic acid
CID 175161908
potassium 12-fluoropentacosane-12-sulfonate
CID 175528903
sodium 12-fluoropentacosane-12-sulfonate
CID 175529495
N-methylmethanamine;1,1,12,12,12-pentafluorododecane-1-sulfonic acid
CID 171929245
azane;2-methylheptan-2-ol;trifluoromethanesulfonic acid
CID 174876443
methanesulfonic acid;2-methylundecan-2-yl 2,2,2-trifluoroacetate
CID 172762132
2-hydroxyundecane-2-sulfonic acid
CID 24797633

Frequently Asked Questions

What is the IUPAC name of 8-fluorononadecane-8-sulfonic acid;N-methylmethanamine?
The IUPAC name of 8-fluorononadecane-8-sulfonic acid;N-methylmethanamine (CID 175161688) is 8-fluorononadecane-8-sulfonic acid;N-methylmethanamine.
What is the SMILES notation for 8-fluorononadecane-8-sulfonic acid;N-methylmethanamine?
The canonical SMILES for 8-fluorononadecane-8-sulfonic acid;N-methylmethanamine is CCCCCCCCCCCC(F)(CCCCCCC)S(=O)(=O)O.CNC.
What is the InChIKey of 8-fluorononadecane-8-sulfonic acid;N-methylmethanamine?
The InChIKey is RPFLFZXTFHHGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39FO3S.C2H7N/c1-3-5-7-9-10-11-12-14-16-18-19(20,24(21,22)23)17-15-13-8-6-4-2;1-3-2/h3-18H2,1-2H3,(H,21,22,23);3H,1-2H3.
What are the key properties of 8-fluorononadecane-8-sulfonic acid;N-methylmethanamine?
8-fluorononadecane-8-sulfonic acid;N-methylmethanamine has a molecular weight of 411.67 g/mol, XLogP of 6.66, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluorononadecane-8-sulfonic acid;N-methylmethanamine is sourced from PubChem (CID 175161688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).