2-fluoro-2,3-dihydroquinoline-4-carbaldehyde

C10H8FNO — CID 174946266

IUPAC2-fluoro-2,3-dihydroquinoline-4-carbaldehyde
SMILESO=CC1=c2ccccc2=NC(F)C1
InChIInChI=1S/C10H8FNO/c11-10-5-7(6-13)8-3-1-2-4-9(8)12-10/h1-4,6,10H,5H2
InChIKeyAOLWMAWHWFLIHM-UHFFFAOYSA-N
MW177.18 g/mol
LogP0.36
Rot. Bonds1

About 2-fluoro-2,3-dihydroquinoline-4-carbaldehyde

2-fluoro-2,3-dihydroquinoline-4-carbaldehyde (PubChem CID 174946266) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 2-fluoro-2,3-dihydroquinoline-4-carbaldehyde.

Molecular Properties

Compound Name2-fluoro-2,3-dihydroquinoline-4-carbaldehyde
PubChem CID174946266
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name2-fluoro-2,3-dihydroquinoline-4-carbaldehyde
SMILESO=CC1=c2ccccc2=NC(F)C1
InChIInChI=1S/C10H8FNO/c11-10-5-7(6-13)8-3-1-2-4-9(8)12-10/h1-4,6,10H,5H2
InChIKeyAOLWMAWHWFLIHM-UHFFFAOYSA-N
XLogP0.36
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,3-dihydroquinoline-4-carbaldehyde?
The IUPAC name of 2-fluoro-2,3-dihydroquinoline-4-carbaldehyde (CID 174946266) is 2-fluoro-2,3-dihydroquinoline-4-carbaldehyde.
What is the SMILES notation for 2-fluoro-2,3-dihydroquinoline-4-carbaldehyde?
The canonical SMILES for 2-fluoro-2,3-dihydroquinoline-4-carbaldehyde is O=CC1=c2ccccc2=NC(F)C1.
What is the InChIKey of 2-fluoro-2,3-dihydroquinoline-4-carbaldehyde?
The InChIKey is AOLWMAWHWFLIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c11-10-5-7(6-13)8-3-1-2-4-9(8)12-10/h1-4,6,10H,5H2.
What are the key properties of 2-fluoro-2,3-dihydroquinoline-4-carbaldehyde?
2-fluoro-2,3-dihydroquinoline-4-carbaldehyde has a molecular weight of 177.18 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,3-dihydroquinoline-4-carbaldehyde is sourced from PubChem (CID 174946266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).