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

C12H14FNO — CID 174846816

IUPAC1-fluoro-4,4-dimethyl-2,3-dihydroquinoline-2-carbaldehyde
SMILESCC1(C)CC(C=O)N(F)c2ccccc21
InChIInChI=1S/C12H14FNO/c1-12(2)7-9(8-15)14(13)11-6-4-3-5-10(11)12/h3-6,8-9H,7H2,1-2H3
InChIKeyOGCQRPACXFDAHJ-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.63
Rot. Bonds1

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

1-fluoro-4,4-dimethyl-2,3-dihydroquinoline-2-carbaldehyde (PubChem CID 174846816) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-fluoro-4,4-dimethyl-2,3-dihydroquinoline-2-carbaldehyde.

Molecular Properties

Compound Name1-fluoro-4,4-dimethyl-2,3-dihydroquinoline-2-carbaldehyde
PubChem CID174846816
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name1-fluoro-4,4-dimethyl-2,3-dihydroquinoline-2-carbaldehyde
SMILESCC1(C)CC(C=O)N(F)c2ccccc21
InChIInChI=1S/C12H14FNO/c1-12(2)7-9(8-15)14(13)11-6-4-3-5-10(11)12/h3-6,8-9H,7H2,1-2H3
InChIKeyOGCQRPACXFDAHJ-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.63
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'}

Analyze 1-fluoro-4,4-dimethyl-2,3-dihydroquinoline-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4,4-dimethyl-2,3-dihydroquinoline-2-carbaldehyde?
The IUPAC name of 1-fluoro-4,4-dimethyl-2,3-dihydroquinoline-2-carbaldehyde (CID 174846816) is 1-fluoro-4,4-dimethyl-2,3-dihydroquinoline-2-carbaldehyde.
What is the SMILES notation for 1-fluoro-4,4-dimethyl-2,3-dihydroquinoline-2-carbaldehyde?
The canonical SMILES for 1-fluoro-4,4-dimethyl-2,3-dihydroquinoline-2-carbaldehyde is CC1(C)CC(C=O)N(F)c2ccccc21.
What is the InChIKey of 1-fluoro-4,4-dimethyl-2,3-dihydroquinoline-2-carbaldehyde?
The InChIKey is OGCQRPACXFDAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-12(2)7-9(8-15)14(13)11-6-4-3-5-10(11)12/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 1-fluoro-4,4-dimethyl-2,3-dihydroquinoline-2-carbaldehyde?
1-fluoro-4,4-dimethyl-2,3-dihydroquinoline-2-carbaldehyde has a molecular weight of 207.25 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4,4-dimethyl-2,3-dihydroquinoline-2-carbaldehyde is sourced from PubChem (CID 174846816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).