2-fluoro-1-propyl-3,4-dihydroquinoline-2-carbaldehyde

C13H16FNO — CID 174908993

IUPAC2-fluoro-1-propyl-3,4-dihydroquinoline-2-carbaldehyde
SMILESCCCN1c2ccccc2CCC1(F)C=O
InChIInChI=1S/C13H16FNO/c1-2-9-15-12-6-4-3-5-11(12)7-8-13(15,14)10-16/h3-6,10H,2,7-9H2,1H3
InChIKeyOTRDCNVCIVUJSB-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.71
Rot. Bonds3

About 2-fluoro-1-propyl-3,4-dihydroquinoline-2-carbaldehyde

2-fluoro-1-propyl-3,4-dihydroquinoline-2-carbaldehyde (PubChem CID 174908993) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-fluoro-1-propyl-3,4-dihydroquinoline-2-carbaldehyde.

Molecular Properties

Compound Name2-fluoro-1-propyl-3,4-dihydroquinoline-2-carbaldehyde
PubChem CID174908993
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name2-fluoro-1-propyl-3,4-dihydroquinoline-2-carbaldehyde
SMILESCCCN1c2ccccc2CCC1(F)C=O
InChIInChI=1S/C13H16FNO/c1-2-9-15-12-6-4-3-5-11(12)7-8-13(15,14)10-16/h3-6,10H,2,7-9H2,1H3
InChIKeyOTRDCNVCIVUJSB-UHFFFAOYSA-N
XLogP2.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.71
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-1-propyl-3,4-dihydroquinoline-2-carbaldehyde?
The IUPAC name of 2-fluoro-1-propyl-3,4-dihydroquinoline-2-carbaldehyde (CID 174908993) is 2-fluoro-1-propyl-3,4-dihydroquinoline-2-carbaldehyde.
What is the SMILES notation for 2-fluoro-1-propyl-3,4-dihydroquinoline-2-carbaldehyde?
The canonical SMILES for 2-fluoro-1-propyl-3,4-dihydroquinoline-2-carbaldehyde is CCCN1c2ccccc2CCC1(F)C=O.
What is the InChIKey of 2-fluoro-1-propyl-3,4-dihydroquinoline-2-carbaldehyde?
The InChIKey is OTRDCNVCIVUJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-2-9-15-12-6-4-3-5-11(12)7-8-13(15,14)10-16/h3-6,10H,2,7-9H2,1H3.
What are the key properties of 2-fluoro-1-propyl-3,4-dihydroquinoline-2-carbaldehyde?
2-fluoro-1-propyl-3,4-dihydroquinoline-2-carbaldehyde has a molecular weight of 221.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-propyl-3,4-dihydroquinoline-2-carbaldehyde is sourced from PubChem (CID 174908993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).