lithium;hydride;pentadecyl 1-fluorodecane-1-sulfonate

C25H52FLiO3S — CID 175360656

IUPAClithium;hydride;pentadecyl 1-fluorodecane-1-sulfonate
SMILESCCCCCCCCCCCCCCCOS(=O)(=O)C(F)CCCCCCCCC.[H-].[Li+]
InChIInChI=1S/C25H51FO3S.Li.H/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24-29-30(27,28)25(26)23-21-19-17-10-8-6-4-2;;/h25H,3-24H2,1-2H3;;/q;+1;-1
InChIKeyAMRFZXLFJFGIDR-UHFFFAOYSA-N
MW458.69 g/mol
LogP5.98
Rot. Bonds24

About lithium;hydride;pentadecyl 1-fluorodecane-1-sulfonate

lithium;hydride;pentadecyl 1-fluorodecane-1-sulfonate (PubChem CID 175360656) has the molecular formula C25H52FLiO3S and a molecular weight of 458.69 g/mol. Its IUPAC name is lithium;hydride;pentadecyl 1-fluorodecane-1-sulfonate.

Molecular Properties

Compound Namelithium;hydride;pentadecyl 1-fluorodecane-1-sulfonate
PubChem CID175360656
Molecular FormulaC25H52FLiO3S
Molecular Weight458.69 g/mol
Exact Mass458.38
IUPAC Namelithium;hydride;pentadecyl 1-fluorodecane-1-sulfonate
SMILESCCCCCCCCCCCCCCCOS(=O)(=O)C(F)CCCCCCCCC.[H-].[Li+]
InChIInChI=1S/C25H51FO3S.Li.H/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24-29-30(27,28)25(26)23-21-19-17-10-8-6-4-2;;/h25H,3-24H2,1-2H3;;/q;+1;-1
InChIKeyAMRFZXLFJFGIDR-UHFFFAOYSA-N
XLogP5.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.69
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

pentadecyl 1-fluorodecane-1-sulfonate
CID 175165524
octadecyl 1-fluoroundecane-1-sulfonate
CID 175528772
tetradecyl 1-fluoroheptane-1-sulfonate;tetraethylazanium
CID 175529449
octadecyl 1-fluorodecane-1-sulfonate;tetraethylazanium
CID 175529132
pentadecyl 1-fluorodecane-1-sulfonate;prop-2-en-1-amine
CID 175166828
4-[(2R)-octan-2-yl]sulfonyloxybutyl (2R)-octane-2-sulfonate
CID 98566307
diethyl 2-hexoxysulfonylbutanedioate
CID 91541773
dodecyl 1,2-dihydroxyethanesulfonate
CID 140844534
potassium;1-fluorosulfonyloxyundecane;hydride
CID 175162484
sodium;dodecyl hydrogen sulfate;hydride
CID 173193135
bis(7-methyldodecyl) sulfate
CID 140502369
14-ethyloctadecyl hydrogen sulfate
CID 139778454

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;pentadecyl 1-fluorodecane-1-sulfonate?
The IUPAC name of lithium;hydride;pentadecyl 1-fluorodecane-1-sulfonate (CID 175360656) is lithium;hydride;pentadecyl 1-fluorodecane-1-sulfonate.
What is the SMILES notation for lithium;hydride;pentadecyl 1-fluorodecane-1-sulfonate?
The canonical SMILES for lithium;hydride;pentadecyl 1-fluorodecane-1-sulfonate is CCCCCCCCCCCCCCCOS(=O)(=O)C(F)CCCCCCCCC.[H-].[Li+].
What is the InChIKey of lithium;hydride;pentadecyl 1-fluorodecane-1-sulfonate?
The InChIKey is AMRFZXLFJFGIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51FO3S.Li.H/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24-29-30(27,28)25(26)23-21-19-17-10-8-6-4-2;;/h25H,3-24H2,1-2H3;;/q;+1;-1.
What are the key properties of lithium;hydride;pentadecyl 1-fluorodecane-1-sulfonate?
lithium;hydride;pentadecyl 1-fluorodecane-1-sulfonate has a molecular weight of 458.69 g/mol, XLogP of 5.98, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;pentadecyl 1-fluorodecane-1-sulfonate is sourced from PubChem (CID 175360656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).