6-fluoro-2-methylnaphthalene-1-carbaldehyde

C12H9FO — CID 66572465

IUPAC6-fluoro-2-methylnaphthalene-1-carbaldehyde
SMILESCc1ccc2cc(F)ccc2c1C=O
InChIInChI=1S/C12H9FO/c1-8-2-3-9-6-10(13)4-5-11(9)12(8)7-14/h2-7H,1H3
InChIKeyYSXLTQGTINMIBD-UHFFFAOYSA-N
MW188.20 g/mol
LogP3.10
Rot. Bonds1

About 6-fluoro-2-methylnaphthalene-1-carbaldehyde

6-fluoro-2-methylnaphthalene-1-carbaldehyde (PubChem CID 66572465) has the molecular formula C12H9FO and a molecular weight of 188.20 g/mol. Its IUPAC name is 6-fluoro-2-methylnaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-2-methylnaphthalene-1-carbaldehyde
PubChem CID66572465
Molecular FormulaC12H9FO
Molecular Weight188.20 g/mol
Exact Mass188.06
IUPAC Name6-fluoro-2-methylnaphthalene-1-carbaldehyde
SMILESCc1ccc2cc(F)ccc2c1C=O
InChIInChI=1S/C12H9FO/c1-8-2-3-9-6-10(13)4-5-11(9)12(8)7-14/h2-7H,1H3
InChIKeyYSXLTQGTINMIBD-UHFFFAOYSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-fluoro-2-methylnaphthalene-1-carbaldehyde 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 6-fluoro-2-methylnaphthalene-1-carbaldehyde?
The IUPAC name of 6-fluoro-2-methylnaphthalene-1-carbaldehyde (CID 66572465) is 6-fluoro-2-methylnaphthalene-1-carbaldehyde.
What is the SMILES notation for 6-fluoro-2-methylnaphthalene-1-carbaldehyde?
The canonical SMILES for 6-fluoro-2-methylnaphthalene-1-carbaldehyde is Cc1ccc2cc(F)ccc2c1C=O.
What is the InChIKey of 6-fluoro-2-methylnaphthalene-1-carbaldehyde?
The InChIKey is YSXLTQGTINMIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO/c1-8-2-3-9-6-10(13)4-5-11(9)12(8)7-14/h2-7H,1H3.
What are the key properties of 6-fluoro-2-methylnaphthalene-1-carbaldehyde?
6-fluoro-2-methylnaphthalene-1-carbaldehyde has a molecular weight of 188.20 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methylnaphthalene-1-carbaldehyde is sourced from PubChem (CID 66572465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).