2-fluoro-3-methoxynaphthalene-1-carbaldehyde

C12H9FO2 — CID 142595682

IUPAC2-fluoro-3-methoxynaphthalene-1-carbaldehyde
SMILESCOc1cc2ccccc2c(C=O)c1F
InChIInChI=1S/C12H9FO2/c1-15-11-6-8-4-2-3-5-9(8)10(7-14)12(11)13/h2-7H,1H3
InChIKeyYDLJNWMNORTWPG-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.80
Rot. Bonds2

About 2-fluoro-3-methoxynaphthalene-1-carbaldehyde

2-fluoro-3-methoxynaphthalene-1-carbaldehyde (PubChem CID 142595682) has the molecular formula C12H9FO2 and a molecular weight of 204.20 g/mol. Its IUPAC name is 2-fluoro-3-methoxynaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-fluoro-3-methoxynaphthalene-1-carbaldehyde
PubChem CID142595682
Molecular FormulaC12H9FO2
Molecular Weight204.20 g/mol
Exact Mass204.06
IUPAC Name2-fluoro-3-methoxynaphthalene-1-carbaldehyde
SMILESCOc1cc2ccccc2c(C=O)c1F
InChIInChI=1S/C12H9FO2/c1-15-11-6-8-4-2-3-5-9(8)10(7-14)12(11)13/h2-7H,1H3
InChIKeyYDLJNWMNORTWPG-UHFFFAOYSA-N
XLogP2.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methoxynaphthalene-1-carbaldehyde?
The IUPAC name of 2-fluoro-3-methoxynaphthalene-1-carbaldehyde (CID 142595682) is 2-fluoro-3-methoxynaphthalene-1-carbaldehyde.
What is the SMILES notation for 2-fluoro-3-methoxynaphthalene-1-carbaldehyde?
The canonical SMILES for 2-fluoro-3-methoxynaphthalene-1-carbaldehyde is COc1cc2ccccc2c(C=O)c1F.
What is the InChIKey of 2-fluoro-3-methoxynaphthalene-1-carbaldehyde?
The InChIKey is YDLJNWMNORTWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO2/c1-15-11-6-8-4-2-3-5-9(8)10(7-14)12(11)13/h2-7H,1H3.
What are the key properties of 2-fluoro-3-methoxynaphthalene-1-carbaldehyde?
2-fluoro-3-methoxynaphthalene-1-carbaldehyde has a molecular weight of 204.20 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methoxynaphthalene-1-carbaldehyde is sourced from PubChem (CID 142595682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).