CID 58450202

C9H8F3NO2 — CID 58450202

IUPAC—
SMILES[CH]OC(c1ccc(=O)n(C)c1)C(F)(F)F
InChIInChI=1S/C9H8F3NO2/c1-13-5-6(3-4-7(13)14)8(15-2)9(10,11)12/h2-5,8H,1H3
InChIKeyFELUDYATPWXYGG-UHFFFAOYSA-N
MW219.16 g/mol
LogP1.67
Rot. Bonds2

About CID 58450202

CID 58450202 (PubChem CID 58450202) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol.

Molecular Properties

Compound NameCID 58450202
PubChem CID58450202
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name—
SMILES[CH]OC(c1ccc(=O)n(C)c1)C(F)(F)F
InChIInChI=1S/C9H8F3NO2/c1-13-5-6(3-4-7(13)14)8(15-2)9(10,11)12/h2-5,8H,1H3
InChIKeyFELUDYATPWXYGG-UHFFFAOYSA-N
XLogP1.67
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58450202?
The IUPAC name of CID 58450202 (CID 58450202) is not available.
What is the SMILES notation for CID 58450202?
The canonical SMILES for CID 58450202 is [CH]OC(c1ccc(=O)n(C)c1)C(F)(F)F.
What is the InChIKey of CID 58450202?
The InChIKey is FELUDYATPWXYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-13-5-6(3-4-7(13)14)8(15-2)9(10,11)12/h2-5,8H,1H3.
What are the key properties of CID 58450202?
CID 58450202 has a molecular weight of 219.16 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450202 is sourced from PubChem (CID 58450202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).