CID 162063920

C5H12FNO4S — CID 162063920

IUPAC—
SMILESC[NH+]1CCOCC1.O=S(=O)([O-])F
InChIInChI=1S/C5H11NO.FHO3S/c1-6-2-4-7-5-3-6;1-5(2,3)4/h2-5H2,1H3;(H,2,3,4)
InChIKeyZAEYEIUJBQHICN-UHFFFAOYSA-N
MW201.22 g/mol
LogP-2.05
Rot. Bonds

About CID 162063920

CID 162063920 (PubChem CID 162063920) has the molecular formula C5H12FNO4S and a molecular weight of 201.22 g/mol.

Molecular Properties

Compound NameCID 162063920
PubChem CID162063920
Molecular FormulaC5H12FNO4S
Molecular Weight201.22 g/mol
Exact Mass201.05
IUPAC Name—
SMILESC[NH+]1CCOCC1.O=S(=O)([O-])F
InChIInChI=1S/C5H11NO.FHO3S/c1-6-2-4-7-5-3-6;1-5(2,3)4/h2-5H2,1H3;(H,2,3,4)
InChIKeyZAEYEIUJBQHICN-UHFFFAOYSA-N
XLogP-2.05
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-2.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 162063920 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 162063920?
The IUPAC name of CID 162063920 (CID 162063920) is not available.
What is the SMILES notation for CID 162063920?
The canonical SMILES for CID 162063920 is C[NH+]1CCOCC1.O=S(=O)([O-])F.
What is the InChIKey of CID 162063920?
The InChIKey is ZAEYEIUJBQHICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.FHO3S/c1-6-2-4-7-5-3-6;1-5(2,3)4/h2-5H2,1H3;(H,2,3,4).
What are the key properties of CID 162063920?
CID 162063920 has a molecular weight of 201.22 g/mol, XLogP of -2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162063920 is sourced from PubChem (CID 162063920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).