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

C9H8BrF2N — CID 84728816

IUPAC8-bromo-3,3-difluoro-2,4-dihydro-1H-quinoline
SMILESFC1(F)CNc2c(Br)cccc2C1
InChIInChI=1S/C9H8BrF2N/c10-7-3-1-2-6-4-9(11,12)5-13-8(6)7/h1-3,13H,4-5H2
InChIKeyZOQVUCVWKMBNMI-UHFFFAOYSA-N
MW248.07 g/mol
LogP3.05
Rot. Bonds

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

8-bromo-3,3-difluoro-2,4-dihydro-1H-quinoline (PubChem CID 84728816) has the molecular formula C9H8BrF2N and a molecular weight of 248.07 g/mol. Its IUPAC name is 8-bromo-3,3-difluoro-2,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name8-bromo-3,3-difluoro-2,4-dihydro-1H-quinoline
PubChem CID84728816
Molecular FormulaC9H8BrF2N
Molecular Weight248.07 g/mol
Exact Mass246.98
IUPAC Name8-bromo-3,3-difluoro-2,4-dihydro-1H-quinoline
SMILESFC1(F)CNc2c(Br)cccc2C1
InChIInChI=1S/C9H8BrF2N/c10-7-3-1-2-6-4-9(11,12)5-13-8(6)7/h1-3,13H,4-5H2
InChIKeyZOQVUCVWKMBNMI-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3,3-difluoro-2,4-dihydro-1H-quinoline?
The IUPAC name of 8-bromo-3,3-difluoro-2,4-dihydro-1H-quinoline (CID 84728816) is 8-bromo-3,3-difluoro-2,4-dihydro-1H-quinoline.
What is the SMILES notation for 8-bromo-3,3-difluoro-2,4-dihydro-1H-quinoline?
The canonical SMILES for 8-bromo-3,3-difluoro-2,4-dihydro-1H-quinoline is FC1(F)CNc2c(Br)cccc2C1.
What is the InChIKey of 8-bromo-3,3-difluoro-2,4-dihydro-1H-quinoline?
The InChIKey is ZOQVUCVWKMBNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2N/c10-7-3-1-2-6-4-9(11,12)5-13-8(6)7/h1-3,13H,4-5H2.
What are the key properties of 8-bromo-3,3-difluoro-2,4-dihydro-1H-quinoline?
8-bromo-3,3-difluoro-2,4-dihydro-1H-quinoline has a molecular weight of 248.07 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3,3-difluoro-2,4-dihydro-1H-quinoline is sourced from PubChem (CID 84728816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).