CID 160517352

C5H3F3N2NaO2 — CID 160517352

IUPAC—
SMILESO=c1[nH]c(C(F)F)nc(O)c1F.[Na]
InChIInChI=1S/C5H3F3N2O2.Na/c6-1-4(11)9-3(2(7)8)10-5(1)12;/h2H,(H2,9,10,11,12);
InChIKeyQTVBUTAUQIGZAX-UHFFFAOYSA-N
MW203.07 g/mol
LogP0.17
Rot. Bonds1

About CID 160517352

CID 160517352 (PubChem CID 160517352) has the molecular formula C5H3F3N2NaO2 and a molecular weight of 203.07 g/mol.

Molecular Properties

Compound NameCID 160517352
PubChem CID160517352
Molecular FormulaC5H3F3N2NaO2
Molecular Weight203.07 g/mol
Exact Mass203.00
IUPAC Name—
SMILESO=c1[nH]c(C(F)F)nc(O)c1F.[Na]
InChIInChI=1S/C5H3F3N2O2.Na/c6-1-4(11)9-3(2(7)8)10-5(1)12;/h2H,(H2,9,10,11,12);
InChIKeyQTVBUTAUQIGZAX-UHFFFAOYSA-N
XLogP0.17
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 160517352?
The IUPAC name of CID 160517352 (CID 160517352) is not available.
What is the SMILES notation for CID 160517352?
The canonical SMILES for CID 160517352 is O=c1[nH]c(C(F)F)nc(O)c1F.[Na].
What is the InChIKey of CID 160517352?
The InChIKey is QTVBUTAUQIGZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O2.Na/c6-1-4(11)9-3(2(7)8)10-5(1)12;/h2H,(H2,9,10,11,12);.
What are the key properties of CID 160517352?
CID 160517352 has a molecular weight of 203.07 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160517352 is sourced from PubChem (CID 160517352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).