6-fluoro-1,2-dihydronaphthalene-1-carbaldehyde

C11H9FO — CID 174542802

IUPAC6-fluoro-1,2-dihydronaphthalene-1-carbaldehyde
SMILESO=CC1CC=Cc2cc(F)ccc21
InChIInChI=1S/C11H9FO/c12-10-4-5-11-8(6-10)2-1-3-9(11)7-13/h1-2,4-7,9H,3H2
InChIKeyKNQYTGDMDSLZPE-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.53
Rot. Bonds1

About 6-fluoro-1,2-dihydronaphthalene-1-carbaldehyde

6-fluoro-1,2-dihydronaphthalene-1-carbaldehyde (PubChem CID 174542802) has the molecular formula C11H9FO and a molecular weight of 176.19 g/mol. Its IUPAC name is 6-fluoro-1,2-dihydronaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-1,2-dihydronaphthalene-1-carbaldehyde
PubChem CID174542802
Molecular FormulaC11H9FO
Molecular Weight176.19 g/mol
Exact Mass176.06
IUPAC Name6-fluoro-1,2-dihydronaphthalene-1-carbaldehyde
SMILESO=CC1CC=Cc2cc(F)ccc21
InChIInChI=1S/C11H9FO/c12-10-4-5-11-8(6-10)2-1-3-9(11)7-13/h1-2,4-7,9H,3H2
InChIKeyKNQYTGDMDSLZPE-UHFFFAOYSA-N
XLogP2.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,2-dihydronaphthalene-1-carbaldehyde?
The IUPAC name of 6-fluoro-1,2-dihydronaphthalene-1-carbaldehyde (CID 174542802) is 6-fluoro-1,2-dihydronaphthalene-1-carbaldehyde.
What is the SMILES notation for 6-fluoro-1,2-dihydronaphthalene-1-carbaldehyde?
The canonical SMILES for 6-fluoro-1,2-dihydronaphthalene-1-carbaldehyde is O=CC1CC=Cc2cc(F)ccc21.
What is the InChIKey of 6-fluoro-1,2-dihydronaphthalene-1-carbaldehyde?
The InChIKey is KNQYTGDMDSLZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO/c12-10-4-5-11-8(6-10)2-1-3-9(11)7-13/h1-2,4-7,9H,3H2.
What are the key properties of 6-fluoro-1,2-dihydronaphthalene-1-carbaldehyde?
6-fluoro-1,2-dihydronaphthalene-1-carbaldehyde has a molecular weight of 176.19 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,2-dihydronaphthalene-1-carbaldehyde is sourced from PubChem (CID 174542802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).