CID 90333242

C5H14FNO3S — CID 90333242

IUPAC—
SMILESCC[N+](C)(C)C.O=S(=O)([O-])F
InChIInChI=1S/C5H14N.FHO3S/c1-5-6(2,3)4;1-5(2,3)4/h5H2,1-4H3;(H,2,3,4)/q+1;/p-1
InChIKeyLBUVAAWZYRMPIO-UHFFFAOYSA-M
MW187.24 g/mol
LogP0.13
Rot. Bonds1

About CID 90333242

CID 90333242 (PubChem CID 90333242) has the molecular formula C5H14FNO3S and a molecular weight of 187.24 g/mol.

Molecular Properties

Compound NameCID 90333242
PubChem CID90333242
Molecular FormulaC5H14FNO3S
Molecular Weight187.24 g/mol
Exact Mass187.07
IUPAC Name—
SMILESCC[N+](C)(C)C.O=S(=O)([O-])F
InChIInChI=1S/C5H14N.FHO3S/c1-5-6(2,3)4;1-5(2,3)4/h5H2,1-4H3;(H,2,3,4)/q+1;/p-1
InChIKeyLBUVAAWZYRMPIO-UHFFFAOYSA-M
XLogP0.13
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', '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 90333242?
The IUPAC name of CID 90333242 (CID 90333242) is not available.
What is the SMILES notation for CID 90333242?
The canonical SMILES for CID 90333242 is CC[N+](C)(C)C.O=S(=O)([O-])F.
What is the InChIKey of CID 90333242?
The InChIKey is LBUVAAWZYRMPIO-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14N.FHO3S/c1-5-6(2,3)4;1-5(2,3)4/h5H2,1-4H3;(H,2,3,4)/q+1;/p-1.
What are the key properties of CID 90333242?
CID 90333242 has a molecular weight of 187.24 g/mol, XLogP of 0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90333242 is sourced from PubChem (CID 90333242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).