6-bromo-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline

C15H13BrFN — CID 132589767

IUPAC6-bromo-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline
SMILESFc1cccc(C2CCc3cc(Br)ccc3N2)c1
InChIInChI=1S/C15H13BrFN/c16-12-5-7-15-11(8-12)4-6-14(18-15)10-2-1-3-13(17)9-10/h1-3,5,7-9,14,18H,4,6H2
InChIKeyHDTHJQVJNVVWBS-UHFFFAOYSA-N
MW306.18 g/mol
LogP4.69
Rot. Bonds1

About 6-bromo-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline

6-bromo-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 132589767) has the molecular formula C15H13BrFN and a molecular weight of 306.18 g/mol. Its IUPAC name is 6-bromo-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-bromo-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline
PubChem CID132589767
Molecular FormulaC15H13BrFN
Molecular Weight306.18 g/mol
Exact Mass305.02
IUPAC Name6-bromo-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline
SMILESFc1cccc(C2CCc3cc(Br)ccc3N2)c1
InChIInChI=1S/C15H13BrFN/c16-12-5-7-15-11(8-12)4-6-14(18-15)10-2-1-3-13(17)9-10/h1-3,5,7-9,14,18H,4,6H2
InChIKeyHDTHJQVJNVVWBS-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 164550250
7-bromo-2-(3-fluorophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine
CID 132501002
6-bromo-5,8-difluoro-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline
CID 132589821
S-[4-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]thiohydroxylamine
CID 170390923
(2R)-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinoxaline
CID 53375541
2-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 79691457
6-bromo-5-chloro-2-(3-fluorophenyl)-8-methoxy-1,2,3,4-tetrahydroquinoline
CID 132589965
(2S)-2-phenyl-1,2,3,4-tetrahydrobenzo[g]quinoline
CID 101474621
5-bromo-2-[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]-3-fluorophenol
CID 90298097
(2S)-6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 97296326
3-(7-bromo-4-oxido-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium-2-yl)benzonitrile
CID 89422894
(4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one
CID 130642910

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-bromo-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline (CID 132589767) is 6-bromo-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-bromo-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-bromo-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline is Fc1cccc(C2CCc3cc(Br)ccc3N2)c1.
What is the InChIKey of 6-bromo-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is HDTHJQVJNVVWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN/c16-12-5-7-15-11(8-12)4-6-14(18-15)10-2-1-3-13(17)9-10/h1-3,5,7-9,14,18H,4,6H2.
What are the key properties of 6-bromo-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline?
6-bromo-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 306.18 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 132589767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).