CID 87918914

C7H14FLiO5S — CID 87918914

IUPAC—
SMILESC=COC(CC)OCC.O=S(=O)([O-])F.[Li+]
InChIInChI=1S/C7H14O2.FHO3S.Li/c1-4-7(8-5-2)9-6-3;1-5(2,3)4;/h5,7H,2,4,6H2,1,3H3;(H,2,3,4);/q;;+1/p-1
InChIKeyHRNDTJYNGOMMMN-UHFFFAOYSA-M
MW236.19 g/mol
LogP-1.66
Rot. Bonds5

About CID 87918914

CID 87918914 (PubChem CID 87918914) has the molecular formula C7H14FLiO5S and a molecular weight of 236.19 g/mol.

Molecular Properties

Compound NameCID 87918914
PubChem CID87918914
Molecular FormulaC7H14FLiO5S
Molecular Weight236.19 g/mol
Exact Mass236.07
IUPAC Name—
SMILESC=COC(CC)OCC.O=S(=O)([O-])F.[Li+]
InChIInChI=1S/C7H14O2.FHO3S.Li/c1-4-7(8-5-2)9-6-3;1-5(2,3)4;/h5,7H,2,4,6H2,1,3H3;(H,2,3,4);/q;;+1/p-1
InChIKeyHRNDTJYNGOMMMN-UHFFFAOYSA-M
XLogP-1.66
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 5-1.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 87918914?
The IUPAC name of CID 87918914 (CID 87918914) is not available.
What is the SMILES notation for CID 87918914?
The canonical SMILES for CID 87918914 is C=COC(CC)OCC.O=S(=O)([O-])F.[Li+].
What is the InChIKey of CID 87918914?
The InChIKey is HRNDTJYNGOMMMN-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14O2.FHO3S.Li/c1-4-7(8-5-2)9-6-3;1-5(2,3)4;/h5,7H,2,4,6H2,1,3H3;(H,2,3,4);/q;;+1/p-1.
What are the key properties of CID 87918914?
CID 87918914 has a molecular weight of 236.19 g/mol, XLogP of -1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87918914 is sourced from PubChem (CID 87918914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).