CID 59967604

C11H9F3NO3 — CID 59967604

IUPAC—
SMILES[CH2]O/N=C(/c1ccc2c(c1)OCCO2)C(F)(F)F
InChIInChI=1S/C11H9F3NO3/c1-16-15-10(11(12,13)14)7-2-3-8-9(6-7)18-5-4-17-8/h2-3,6H,1,4-5H2/b15-10-
InChIKeyYQRCBGCTEFSOJL-GDNBJRDFSA-N
MW260.19 g/mol
LogP2.53
Rot. Bonds2

About CID 59967604

CID 59967604 (PubChem CID 59967604) has the molecular formula C11H9F3NO3 and a molecular weight of 260.19 g/mol.

Molecular Properties

Compound NameCID 59967604
PubChem CID59967604
Molecular FormulaC11H9F3NO3
Molecular Weight260.19 g/mol
Exact Mass260.05
IUPAC Name—
SMILES[CH2]O/N=C(/c1ccc2c(c1)OCCO2)C(F)(F)F
InChIInChI=1S/C11H9F3NO3/c1-16-15-10(11(12,13)14)7-2-3-8-9(6-7)18-5-4-17-8/h2-3,6H,1,4-5H2/b15-10-
InChIKeyYQRCBGCTEFSOJL-GDNBJRDFSA-N
XLogP2.53
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59967604?
The IUPAC name of CID 59967604 (CID 59967604) is not available.
What is the SMILES notation for CID 59967604?
The canonical SMILES for CID 59967604 is [CH2]O/N=C(/c1ccc2c(c1)OCCO2)C(F)(F)F.
What is the InChIKey of CID 59967604?
The InChIKey is YQRCBGCTEFSOJL-GDNBJRDFSA-N. The full InChI is InChI=1S/C11H9F3NO3/c1-16-15-10(11(12,13)14)7-2-3-8-9(6-7)18-5-4-17-8/h2-3,6H,1,4-5H2/b15-10-.
What are the key properties of CID 59967604?
CID 59967604 has a molecular weight of 260.19 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59967604 is sourced from PubChem (CID 59967604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).