CID 144752924

C16H11FN — CID 144752924

IUPAC—
SMILESCn1c2ccccc2c2c([C]3C=C3)ccc(F)c21
InChIInChI=1S/C16H11FN/c1-18-14-5-3-2-4-12(14)15-11(10-6-7-10)8-9-13(17)16(15)18/h2-9H,1H3
InChIKeyAJVDSCMVWUWPJF-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.96
Rot. Bonds1

About CID 144752924

CID 144752924 (PubChem CID 144752924) has the molecular formula C16H11FN and a molecular weight of 236.27 g/mol.

Molecular Properties

Compound NameCID 144752924
PubChem CID144752924
Molecular FormulaC16H11FN
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name—
SMILESCn1c2ccccc2c2c([C]3C=C3)ccc(F)c21
InChIInChI=1S/C16H11FN/c1-18-14-5-3-2-4-12(14)15-11(10-6-7-10)8-9-13(17)16(15)18/h2-9H,1H3
InChIKeyAJVDSCMVWUWPJF-UHFFFAOYSA-N
XLogP3.96
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze CID 144752924 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 144752924?
The IUPAC name of CID 144752924 (CID 144752924) is not available.
What is the SMILES notation for CID 144752924?
The canonical SMILES for CID 144752924 is Cn1c2ccccc2c2c([C]3C=C3)ccc(F)c21.
What is the InChIKey of CID 144752924?
The InChIKey is AJVDSCMVWUWPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN/c1-18-14-5-3-2-4-12(14)15-11(10-6-7-10)8-9-13(17)16(15)18/h2-9H,1H3.
What are the key properties of CID 144752924?
CID 144752924 has a molecular weight of 236.27 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144752924 is sourced from PubChem (CID 144752924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).