8-bromo-4,4-difluoro-2,3-dihydro-1H-quinoline

C9H8BrF2N — CID 84728812

IUPAC8-bromo-4,4-difluoro-2,3-dihydro-1H-quinoline
SMILESFC1(F)CCNc2c(Br)cccc21
InChIInChI=1S/C9H8BrF2N/c10-7-3-1-2-6-8(7)13-5-4-9(6,11)12/h1-3,13H,4-5H2
InChIKeyBRLBGJRQSYASET-UHFFFAOYSA-N
MW248.07 g/mol
LogP3.36
Rot. Bonds

About 8-bromo-4,4-difluoro-2,3-dihydro-1H-quinoline

8-bromo-4,4-difluoro-2,3-dihydro-1H-quinoline (PubChem CID 84728812) has the molecular formula C9H8BrF2N and a molecular weight of 248.07 g/mol. Its IUPAC name is 8-bromo-4,4-difluoro-2,3-dihydro-1H-quinoline.

Molecular Properties

Compound Name8-bromo-4,4-difluoro-2,3-dihydro-1H-quinoline
PubChem CID84728812
Molecular FormulaC9H8BrF2N
Molecular Weight248.07 g/mol
Exact Mass246.98
IUPAC Name8-bromo-4,4-difluoro-2,3-dihydro-1H-quinoline
SMILESFC1(F)CCNc2c(Br)cccc21
InChIInChI=1S/C9H8BrF2N/c10-7-3-1-2-6-8(7)13-5-4-9(6,11)12/h1-3,13H,4-5H2
InChIKeyBRLBGJRQSYASET-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-4,8-dimethyl-2,3-dihydro-1H-quinoline
CID 84718184
7-bromo-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 106701793
8-bromo-3,3-difluoro-2,4-dihydro-1H-quinoline
CID 84728816
2-(2-bromophenyl)-4,4-difluoro-2-methylpiperidine
CID 115052625
5-bromospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclobutane]
CID 115097313
2-(2-bromophenyl)-2-methylpyrrolidine
CID 82621906
8-bromo-4-methyl-2,3-dihydro-1H-quinoxaline
CID 83839922
9-bromo-5,5-dimethyl-1,2,3,4-tetrahydro-2-benzazepine
CID 84729232
7-bromo-4,4,8-trimethyl-2,3-dihydro-1H-quinoline
CID 130489570
9-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1-benzazepine
CID 84729224
1-bromo-2-[1-(1,1-difluoroethyl)cyclopropyl]benzene
CID 84729594
5,7-dibromo-3,3-difluoro-1,2-dihydroindole
CID 10979905

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4,4-difluoro-2,3-dihydro-1H-quinoline?
The IUPAC name of 8-bromo-4,4-difluoro-2,3-dihydro-1H-quinoline (CID 84728812) is 8-bromo-4,4-difluoro-2,3-dihydro-1H-quinoline.
What is the SMILES notation for 8-bromo-4,4-difluoro-2,3-dihydro-1H-quinoline?
The canonical SMILES for 8-bromo-4,4-difluoro-2,3-dihydro-1H-quinoline is FC1(F)CCNc2c(Br)cccc21.
What is the InChIKey of 8-bromo-4,4-difluoro-2,3-dihydro-1H-quinoline?
The InChIKey is BRLBGJRQSYASET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2N/c10-7-3-1-2-6-8(7)13-5-4-9(6,11)12/h1-3,13H,4-5H2.
What are the key properties of 8-bromo-4,4-difluoro-2,3-dihydro-1H-quinoline?
8-bromo-4,4-difluoro-2,3-dihydro-1H-quinoline has a molecular weight of 248.07 g/mol, XLogP of 3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4,4-difluoro-2,3-dihydro-1H-quinoline is sourced from PubChem (CID 84728812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).