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

C15H13BrFN — CID 106646341

IUPAC6-(3-bromo-2-fluorophenyl)-1,2,3,4-tetrahydroquinoline
SMILESFc1c(Br)cccc1-c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H13BrFN/c16-13-5-1-4-12(15(13)17)10-6-7-14-11(9-10)3-2-8-18-14/h1,4-7,9,18H,2-3,8H2
InChIKeyFPUJKZLILLQYBS-UHFFFAOYSA-N
MW306.18 g/mol
LogP4.61
Rot. Bonds1

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

6-(3-bromo-2-fluorophenyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106646341) has the molecular formula C15H13BrFN and a molecular weight of 306.18 g/mol. Its IUPAC name is 6-(3-bromo-2-fluorophenyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(3-bromo-2-fluorophenyl)-1,2,3,4-tetrahydroquinoline
PubChem CID106646341
Molecular FormulaC15H13BrFN
Molecular Weight306.18 g/mol
Exact Mass305.02
IUPAC Name6-(3-bromo-2-fluorophenyl)-1,2,3,4-tetrahydroquinoline
SMILESFc1c(Br)cccc1-c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H13BrFN/c16-13-5-1-4-12(15(13)17)10-6-7-14-11(9-10)3-2-8-18-14/h1,4-7,9,18H,2-3,8H2
InChIKeyFPUJKZLILLQYBS-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62500792
5-(3-bromo-2-fluorophenyl)-2,3-dihydroinden-1-one
CID 114081007
5-(1,2,3,4-tetrahydroquinolin-6-yl)isoquinoline
CID 62812285
6-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 55079489
6-(2,4-dimethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62502822
6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 63424137
6-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 162368247
4-(1,2,3,4-tetrahydroquinolin-6-yl)benzonitrile
CID 23004946
6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline
CID 23004948
N,N-dimethyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)aniline
CID 39232365
6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline
CID 55197505
6-(furan-3-yl)-1,2,3,4-tetrahydroquinoline
CID 63950356

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-2-fluorophenyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(3-bromo-2-fluorophenyl)-1,2,3,4-tetrahydroquinoline (CID 106646341) is 6-(3-bromo-2-fluorophenyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(3-bromo-2-fluorophenyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(3-bromo-2-fluorophenyl)-1,2,3,4-tetrahydroquinoline is Fc1c(Br)cccc1-c1ccc2c(c1)CCCN2.
What is the InChIKey of 6-(3-bromo-2-fluorophenyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is FPUJKZLILLQYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN/c16-13-5-1-4-12(15(13)17)10-6-7-14-11(9-10)3-2-8-18-14/h1,4-7,9,18H,2-3,8H2.
What are the key properties of 6-(3-bromo-2-fluorophenyl)-1,2,3,4-tetrahydroquinoline?
6-(3-bromo-2-fluorophenyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 306.18 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-2-fluorophenyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106646341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).