6-fluoro-1,2,3,4-tetrahydroquinoline-7-carbaldehyde

C10H10FNO — CID 96629336

IUPAC6-fluoro-1,2,3,4-tetrahydroquinoline-7-carbaldehyde
SMILESO=Cc1cc2c(cc1F)CCCN2
InChIInChI=1S/C10H10FNO/c11-9-4-7-2-1-3-12-10(7)5-8(9)6-13/h4-6,12H,1-3H2
InChIKeyBIGGCNQDSAGZBB-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.00
Rot. Bonds1

About 6-fluoro-1,2,3,4-tetrahydroquinoline-7-carbaldehyde

6-fluoro-1,2,3,4-tetrahydroquinoline-7-carbaldehyde (PubChem CID 96629336) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 6-fluoro-1,2,3,4-tetrahydroquinoline-7-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-1,2,3,4-tetrahydroquinoline-7-carbaldehyde
PubChem CID96629336
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name6-fluoro-1,2,3,4-tetrahydroquinoline-7-carbaldehyde
SMILESO=Cc1cc2c(cc1F)CCCN2
InChIInChI=1S/C10H10FNO/c11-9-4-7-2-1-3-12-10(7)5-8(9)6-13/h4-6,12H,1-3H2
InChIKeyBIGGCNQDSAGZBB-UHFFFAOYSA-N
XLogP2.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.00
H-Bond Donors ≤ 51
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 6-fluoro-1,2,3,4-tetrahydroquinoline-7-carbaldehyde?
The IUPAC name of 6-fluoro-1,2,3,4-tetrahydroquinoline-7-carbaldehyde (CID 96629336) is 6-fluoro-1,2,3,4-tetrahydroquinoline-7-carbaldehyde.
What is the SMILES notation for 6-fluoro-1,2,3,4-tetrahydroquinoline-7-carbaldehyde?
The canonical SMILES for 6-fluoro-1,2,3,4-tetrahydroquinoline-7-carbaldehyde is O=Cc1cc2c(cc1F)CCCN2.
What is the InChIKey of 6-fluoro-1,2,3,4-tetrahydroquinoline-7-carbaldehyde?
The InChIKey is BIGGCNQDSAGZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c11-9-4-7-2-1-3-12-10(7)5-8(9)6-13/h4-6,12H,1-3H2.
What are the key properties of 6-fluoro-1,2,3,4-tetrahydroquinoline-7-carbaldehyde?
6-fluoro-1,2,3,4-tetrahydroquinoline-7-carbaldehyde has a molecular weight of 179.19 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,2,3,4-tetrahydroquinoline-7-carbaldehyde is sourced from PubChem (CID 96629336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).