CID 87370318

CH2F3N3O3S — CID 87370318

IUPAC—
SMILESO=S(=O)(O)C(F)(F)F.[N-]=[N+]=N
InChIInChI=1S/CHF3O3S.HN3/c2-1(3,4)8(5,6)7;1-3-2/h(H,5,6,7);1H
InChIKeyMCCSSHDUSYABEA-UHFFFAOYSA-N
MW193.11 g/mol
LogP1.27
Rot. Bonds

About CID 87370318

CID 87370318 (PubChem CID 87370318) has the molecular formula CH2F3N3O3S and a molecular weight of 193.11 g/mol.

Molecular Properties

Compound NameCID 87370318
PubChem CID87370318
Molecular FormulaCH2F3N3O3S
Molecular Weight193.11 g/mol
Exact Mass192.98
IUPAC Name—
SMILESO=S(=O)(O)C(F)(F)F.[N-]=[N+]=N
InChIInChI=1S/CHF3O3S.HN3/c2-1(3,4)8(5,6)7;1-3-2/h(H,5,6,7);1H
InChIKeyMCCSSHDUSYABEA-UHFFFAOYSA-N
XLogP1.27
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.11
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 87370318?
The IUPAC name of CID 87370318 (CID 87370318) is not available.
What is the SMILES notation for CID 87370318?
The canonical SMILES for CID 87370318 is O=S(=O)(O)C(F)(F)F.[N-]=[N+]=N.
What is the InChIKey of CID 87370318?
The InChIKey is MCCSSHDUSYABEA-UHFFFAOYSA-N. The full InChI is InChI=1S/CHF3O3S.HN3/c2-1(3,4)8(5,6)7;1-3-2/h(H,5,6,7);1H.
What are the key properties of CID 87370318?
CID 87370318 has a molecular weight of 193.11 g/mol, XLogP of 1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87370318 is sourced from PubChem (CID 87370318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).