4,7-dichloro-8-fluoro-1,2,3,4-tetrahydroquinoline

C9H8Cl2FN — CID 130787900

IUPAC4,7-dichloro-8-fluoro-1,2,3,4-tetrahydroquinoline
SMILESFc1c(Cl)ccc2c1NCCC2Cl
InChIInChI=1S/C9H8Cl2FN/c10-6-3-4-13-9-5(6)1-2-7(11)8(9)12/h1-2,6,13H,3-4H2
InChIKeyGMWBPURKRZYFGE-UHFFFAOYSA-N
MW220.07 g/mol
LogP3.57
Rot. Bonds

About 4,7-dichloro-8-fluoro-1,2,3,4-tetrahydroquinoline

4,7-dichloro-8-fluoro-1,2,3,4-tetrahydroquinoline (PubChem CID 130787900) has the molecular formula C9H8Cl2FN and a molecular weight of 220.07 g/mol. Its IUPAC name is 4,7-dichloro-8-fluoro-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4,7-dichloro-8-fluoro-1,2,3,4-tetrahydroquinoline
PubChem CID130787900
Molecular FormulaC9H8Cl2FN
Molecular Weight220.07 g/mol
Exact Mass219.00
IUPAC Name4,7-dichloro-8-fluoro-1,2,3,4-tetrahydroquinoline
SMILESFc1c(Cl)ccc2c1NCCC2Cl
InChIInChI=1S/C9H8Cl2FN/c10-6-3-4-13-9-5(6)1-2-7(11)8(9)12/h1-2,6,13H,3-4H2
InChIKeyGMWBPURKRZYFGE-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.07
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,8-dichloro-6-iodo-1,2,3,4-tetrahydroquinoline
CID 130820660
8-bromo-4,6-dichloro-1,2,3,4-tetrahydroquinoline
CID 131053038
3-chloro-2-fluoro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518689
(3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine
CID 131096637
8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
CID 131050920
6-chloro-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 167716546
4-chloro-7-fluoro-2,3-dihydro-1H-indole
CID 16783865
5-chloro-4-fluoro-2,3-dihydro-1H-indole;hydrochloride
CID 135392566
(4S)-4-(3,6-dichloro-2-fluorophenyl)imidazolidin-2-one
CID 171252831
cycloheptane;3,5-dichloro-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine
CID 162764573
(3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine
CID 96760582
7-fluoro-8-methyl-1,2,3,4-tetrahydroquinolin-4-ol
CID 130863196

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-8-fluoro-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4,7-dichloro-8-fluoro-1,2,3,4-tetrahydroquinoline (CID 130787900) is 4,7-dichloro-8-fluoro-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4,7-dichloro-8-fluoro-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4,7-dichloro-8-fluoro-1,2,3,4-tetrahydroquinoline is Fc1c(Cl)ccc2c1NCCC2Cl.
What is the InChIKey of 4,7-dichloro-8-fluoro-1,2,3,4-tetrahydroquinoline?
The InChIKey is GMWBPURKRZYFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2FN/c10-6-3-4-13-9-5(6)1-2-7(11)8(9)12/h1-2,6,13H,3-4H2.
What are the key properties of 4,7-dichloro-8-fluoro-1,2,3,4-tetrahydroquinoline?
4,7-dichloro-8-fluoro-1,2,3,4-tetrahydroquinoline has a molecular weight of 220.07 g/mol, XLogP of 3.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-8-fluoro-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 130787900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).