CID 59369588

C8H7F6NO — CID 59369588

IUPAC—
SMILES[CH]/C=C/C(=O)N(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C8H7F6NO/c1-2-3-6(16)15(4-7(9,10)11)5-8(12,13)14/h1-3H,4-5H2/b3-2+
InChIKeyRKUZTUXHAIXPMK-NSCUHMNNSA-N
MW247.14 g/mol
LogP2.21
Rot. Bonds3

About CID 59369588

CID 59369588 (PubChem CID 59369588) has the molecular formula C8H7F6NO and a molecular weight of 247.14 g/mol.

Molecular Properties

Compound NameCID 59369588
PubChem CID59369588
Molecular FormulaC8H7F6NO
Molecular Weight247.14 g/mol
Exact Mass247.04
IUPAC Name—
SMILES[CH]/C=C/C(=O)N(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C8H7F6NO/c1-2-3-6(16)15(4-7(9,10)11)5-8(12,13)14/h1-3H,4-5H2/b3-2+
InChIKeyRKUZTUXHAIXPMK-NSCUHMNNSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.14
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze CID 59369588 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 59369588?
The IUPAC name of CID 59369588 (CID 59369588) is not available.
What is the SMILES notation for CID 59369588?
The canonical SMILES for CID 59369588 is [CH]/C=C/C(=O)N(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of CID 59369588?
The InChIKey is RKUZTUXHAIXPMK-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H7F6NO/c1-2-3-6(16)15(4-7(9,10)11)5-8(12,13)14/h1-3H,4-5H2/b3-2+.
What are the key properties of CID 59369588?
CID 59369588 has a molecular weight of 247.14 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59369588 is sourced from PubChem (CID 59369588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).