6-bromo-4-(difluoromethoxy)quinoline

C10H6BrF2NO — CID 97291496

IUPAC6-bromo-4-(difluoromethoxy)quinoline
SMILESFC(F)Oc1ccnc2ccc(Br)cc12
InChIInChI=1S/C10H6BrF2NO/c11-6-1-2-8-7(5-6)9(3-4-14-8)15-10(12)13/h1-5,10H
InChIKeyVNCDLPRFVBATOQ-UHFFFAOYSA-N
MW274.06 g/mol
LogP3.60
Rot. Bonds2

About 6-bromo-4-(difluoromethoxy)quinoline

6-bromo-4-(difluoromethoxy)quinoline (PubChem CID 97291496) has the molecular formula C10H6BrF2NO and a molecular weight of 274.06 g/mol. Its IUPAC name is 6-bromo-4-(difluoromethoxy)quinoline.

Molecular Properties

Compound Name6-bromo-4-(difluoromethoxy)quinoline
PubChem CID97291496
Molecular FormulaC10H6BrF2NO
Molecular Weight274.06 g/mol
Exact Mass272.96
IUPAC Name6-bromo-4-(difluoromethoxy)quinoline
SMILESFC(F)Oc1ccnc2ccc(Br)cc12
InChIInChI=1S/C10H6BrF2NO/c11-6-1-2-8-7(5-6)9(3-4-14-8)15-10(12)13/h1-5,10H
InChIKeyVNCDLPRFVBATOQ-UHFFFAOYSA-N
XLogP3.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(difluoromethoxy)quinoline?
The IUPAC name of 6-bromo-4-(difluoromethoxy)quinoline (CID 97291496) is 6-bromo-4-(difluoromethoxy)quinoline.
What is the SMILES notation for 6-bromo-4-(difluoromethoxy)quinoline?
The canonical SMILES for 6-bromo-4-(difluoromethoxy)quinoline is FC(F)Oc1ccnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-(difluoromethoxy)quinoline?
The InChIKey is VNCDLPRFVBATOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF2NO/c11-6-1-2-8-7(5-6)9(3-4-14-8)15-10(12)13/h1-5,10H.
What are the key properties of 6-bromo-4-(difluoromethoxy)quinoline?
6-bromo-4-(difluoromethoxy)quinoline has a molecular weight of 274.06 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(difluoromethoxy)quinoline is sourced from PubChem (CID 97291496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).