1-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde

C10H10FNO — CID 174697946

IUPAC1-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde
SMILESO=CC1CCc2ccccc2N1F
InChIInChI=1S/C10H10FNO/c11-12-9(7-13)6-5-8-3-1-2-4-10(8)12/h1-4,7,9H,5-6H2
InChIKeyFSNHQXLZWXBDDA-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.89
Rot. Bonds1

About 1-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde

1-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde (PubChem CID 174697946) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 1-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde.

Molecular Properties

Compound Name1-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde
PubChem CID174697946
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name1-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde
SMILESO=CC1CCc2ccccc2N1F
InChIInChI=1S/C10H10FNO/c11-12-9(7-13)6-5-8-3-1-2-4-10(8)12/h1-4,7,9H,5-6H2
InChIKeyFSNHQXLZWXBDDA-UHFFFAOYSA-N
XLogP1.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde?
The IUPAC name of 1-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde (CID 174697946) is 1-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde.
What is the SMILES notation for 1-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde?
The canonical SMILES for 1-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde is O=CC1CCc2ccccc2N1F.
What is the InChIKey of 1-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde?
The InChIKey is FSNHQXLZWXBDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c11-12-9(7-13)6-5-8-3-1-2-4-10(8)12/h1-4,7,9H,5-6H2.
What are the key properties of 1-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde?
1-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde has a molecular weight of 179.19 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde is sourced from PubChem (CID 174697946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).