1-fluoro-3,4-dihydro-2H-quinoline

C9H10FN — CID 141340619

IUPAC1-fluoro-3,4-dihydro-2H-quinoline
SMILESFN1CCCc2ccccc21
InChIInChI=1S/C9H10FN/c10-11-7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6H,3,5,7H2
InChIKeyBCNSMFZOHYJUEA-UHFFFAOYSA-N
MW151.18 g/mol
LogP2.32
Rot. Bonds

About 1-fluoro-3,4-dihydro-2H-quinoline

1-fluoro-3,4-dihydro-2H-quinoline (PubChem CID 141340619) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is 1-fluoro-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-fluoro-3,4-dihydro-2H-quinoline
PubChem CID141340619
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name1-fluoro-3,4-dihydro-2H-quinoline
SMILESFN1CCCc2ccccc21
InChIInChI=1S/C9H10FN/c10-11-7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6H,3,5,7H2
InChIKeyBCNSMFZOHYJUEA-UHFFFAOYSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 58892341
1-oxido-3,4-dihydro-2H-quinoline
CID 18542548
5-tert-butyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 147804034
ethane;1-methyl-3,4-dihydro-2H-quinoline
CID 91236662
methane;1-methyl-3,4-dihydro-2H-quinoline
CID 158932753
1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 15836554
ethane;1-phenyl-3,4-dihydro-2H-quinoline
CID 145126037
1-methoxy-2,3,4,5-tetrahydro-1-benzazepine
CID 154059825
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
2,3-dihydro-1H-indene;tetrahydrochloride
CID 175293615
2,3-dihydro-1H-indene;methane
CID 158581717
methane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine
CID 161272103

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-fluoro-3,4-dihydro-2H-quinoline (CID 141340619) is 1-fluoro-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-fluoro-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-fluoro-3,4-dihydro-2H-quinoline is FN1CCCc2ccccc21.
What is the InChIKey of 1-fluoro-3,4-dihydro-2H-quinoline?
The InChIKey is BCNSMFZOHYJUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN/c10-11-7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6H,3,5,7H2.
What are the key properties of 1-fluoro-3,4-dihydro-2H-quinoline?
1-fluoro-3,4-dihydro-2H-quinoline has a molecular weight of 151.18 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 141340619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).