3-(2-bromo-3-fluorophenoxy)-2-(difluoromethyl)quinoline

C16H9BrF3NO — CID 129079603

IUPAC3-(2-bromo-3-fluorophenoxy)-2-(difluoromethyl)quinoline
SMILESFc1cccc(Oc2cc3ccccc3nc2C(F)F)c1Br
InChIInChI=1S/C16H9BrF3NO/c17-14-10(18)5-3-7-12(14)22-13-8-9-4-1-2-6-11(9)21-15(13)16(19)20/h1-8,16H
InChIKeyXCBGRDILFZOAGI-UHFFFAOYSA-N
MW368.15 g/mol
LogP5.87
Rot. Bonds3

About 3-(2-bromo-3-fluorophenoxy)-2-(difluoromethyl)quinoline

3-(2-bromo-3-fluorophenoxy)-2-(difluoromethyl)quinoline (PubChem CID 129079603) has the molecular formula C16H9BrF3NO and a molecular weight of 368.15 g/mol. Its IUPAC name is 3-(2-bromo-3-fluorophenoxy)-2-(difluoromethyl)quinoline.

Molecular Properties

Compound Name3-(2-bromo-3-fluorophenoxy)-2-(difluoromethyl)quinoline
PubChem CID129079603
Molecular FormulaC16H9BrF3NO
Molecular Weight368.15 g/mol
Exact Mass366.98
IUPAC Name3-(2-bromo-3-fluorophenoxy)-2-(difluoromethyl)quinoline
SMILESFc1cccc(Oc2cc3ccccc3nc2C(F)F)c1Br
InChIInChI=1S/C16H9BrF3NO/c17-14-10(18)5-3-7-12(14)22-13-8-9-4-1-2-6-11(9)21-15(13)16(19)20/h1-8,16H
InChIKeyXCBGRDILFZOAGI-UHFFFAOYSA-N
XLogP5.87
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.15
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromo-3-fluorophenoxy)-4-methylquinoline
CID 129079852
2-(difluoromethyl)-3-methylquinoline
CID 154021471
3-[2-bromo-3-(2-chloroethyl)phenoxy]-2-methylquinoline
CID 129079709
2-bromo-1-[2-bromo-3-(difluoromethyl)phenoxy]-3-(difluoromethyl)benzene
CID 141467496
[2-(2,3-difluorophenoxy)quinolin-3-yl]methanol
CID 63036604
3-(2-bromophenoxy)-8-fluoro-2-methylquinoline
CID 129079654
2-(2-fluorophenyl)quinoline
CID 11622684
2-(2-bromo-3-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene
CID 169337177
(3-bromo-2-fluorophenyl)-(3-bromoquinolin-2-yl)methanol
CID 106645159
2-[2-(difluoromethyl)quinazolin-4-yl]oxy-6-fluorobenzonitrile
CID 133391455
2-phenyl-3-(2-phenylquinolin-3-yl)oxyquinoline
CID 175690294
[2-(2-bromo-4-fluorophenoxy)quinolin-3-yl]methanamine
CID 28965989

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3-fluorophenoxy)-2-(difluoromethyl)quinoline?
The IUPAC name of 3-(2-bromo-3-fluorophenoxy)-2-(difluoromethyl)quinoline (CID 129079603) is 3-(2-bromo-3-fluorophenoxy)-2-(difluoromethyl)quinoline.
What is the SMILES notation for 3-(2-bromo-3-fluorophenoxy)-2-(difluoromethyl)quinoline?
The canonical SMILES for 3-(2-bromo-3-fluorophenoxy)-2-(difluoromethyl)quinoline is Fc1cccc(Oc2cc3ccccc3nc2C(F)F)c1Br.
What is the InChIKey of 3-(2-bromo-3-fluorophenoxy)-2-(difluoromethyl)quinoline?
The InChIKey is XCBGRDILFZOAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrF3NO/c17-14-10(18)5-3-7-12(14)22-13-8-9-4-1-2-6-11(9)21-15(13)16(19)20/h1-8,16H.
What are the key properties of 3-(2-bromo-3-fluorophenoxy)-2-(difluoromethyl)quinoline?
3-(2-bromo-3-fluorophenoxy)-2-(difluoromethyl)quinoline has a molecular weight of 368.15 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-3-fluorophenoxy)-2-(difluoromethyl)quinoline is sourced from PubChem (CID 129079603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).