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

C11H12FNO — CID 174841754

IUPAC2-fluoro-1-methyl-3,4-dihydroquinoline-2-carbaldehyde
SMILESCN1c2ccccc2CCC1(F)C=O
InChIInChI=1S/C11H12FNO/c1-13-10-5-3-2-4-9(10)6-7-11(13,12)8-14/h2-5,8H,6-7H2,1H3
InChIKeyLLXDSHCXABHVCS-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.93
Rot. Bonds1

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

2-fluoro-1-methyl-3,4-dihydroquinoline-2-carbaldehyde (PubChem CID 174841754) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-fluoro-1-methyl-3,4-dihydroquinoline-2-carbaldehyde.

Molecular Properties

Compound Name2-fluoro-1-methyl-3,4-dihydroquinoline-2-carbaldehyde
PubChem CID174841754
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name2-fluoro-1-methyl-3,4-dihydroquinoline-2-carbaldehyde
SMILESCN1c2ccccc2CCC1(F)C=O
InChIInChI=1S/C11H12FNO/c1-13-10-5-3-2-4-9(10)6-7-11(13,12)8-14/h2-5,8H,6-7H2,1H3
InChIKeyLLXDSHCXABHVCS-UHFFFAOYSA-N
XLogP1.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.93
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-methyl-3,4-dihydroquinoline-2-carbaldehyde?
The IUPAC name of 2-fluoro-1-methyl-3,4-dihydroquinoline-2-carbaldehyde (CID 174841754) is 2-fluoro-1-methyl-3,4-dihydroquinoline-2-carbaldehyde.
What is the SMILES notation for 2-fluoro-1-methyl-3,4-dihydroquinoline-2-carbaldehyde?
The canonical SMILES for 2-fluoro-1-methyl-3,4-dihydroquinoline-2-carbaldehyde is CN1c2ccccc2CCC1(F)C=O.
What is the InChIKey of 2-fluoro-1-methyl-3,4-dihydroquinoline-2-carbaldehyde?
The InChIKey is LLXDSHCXABHVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-13-10-5-3-2-4-9(10)6-7-11(13,12)8-14/h2-5,8H,6-7H2,1H3.
What are the key properties of 2-fluoro-1-methyl-3,4-dihydroquinoline-2-carbaldehyde?
2-fluoro-1-methyl-3,4-dihydroquinoline-2-carbaldehyde has a molecular weight of 193.22 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-3,4-dihydroquinoline-2-carbaldehyde is sourced from PubChem (CID 174841754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).