2-[3-bromo-4-(trifluoromethoxy)phenoxy]-3,5-difluoropyridine

C12H5BrF5NO2 — CID 102714035

IUPAC2-[3-bromo-4-(trifluoromethoxy)phenoxy]-3,5-difluoropyridine
SMILESFc1cnc(Oc2ccc(OC(F)(F)F)c(Br)c2)c(F)c1
InChIInChI=1S/C12H5BrF5NO2/c13-8-4-7(1-2-10(8)21-12(16,17)18)20-11-9(15)3-6(14)5-19-11/h1-5H
InChIKeyFFDJKZFUIWRBAK-UHFFFAOYSA-N
MW370.07 g/mol
LogP4.81
Rot. Bonds3

About 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-3,5-difluoropyridine

2-[3-bromo-4-(trifluoromethoxy)phenoxy]-3,5-difluoropyridine (PubChem CID 102714035) has the molecular formula C12H5BrF5NO2 and a molecular weight of 370.07 g/mol. Its IUPAC name is 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-3,5-difluoropyridine.

Molecular Properties

Compound Name2-[3-bromo-4-(trifluoromethoxy)phenoxy]-3,5-difluoropyridine
PubChem CID102714035
Molecular FormulaC12H5BrF5NO2
Molecular Weight370.07 g/mol
Exact Mass368.94
IUPAC Name2-[3-bromo-4-(trifluoromethoxy)phenoxy]-3,5-difluoropyridine
SMILESFc1cnc(Oc2ccc(OC(F)(F)F)c(Br)c2)c(F)c1
InChIInChI=1S/C12H5BrF5NO2/c13-8-4-7(1-2-10(8)21-12(16,17)18)20-11-9(15)3-6(14)5-19-11/h1-5H
InChIKeyFFDJKZFUIWRBAK-UHFFFAOYSA-N
XLogP4.81
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.07
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-fluorophenoxy)-3,5-difluoropyridine
CID 112675508
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridin-3-amine
CID 102713947
[4-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-pyridinyl]methanol
CID 102714933
4-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-methylpyridin-2-amine
CID 102715111
3-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridazine
CID 102714042
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridine
CID 102714502
2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol
CID 102674568
3-[3-bromo-4-(trifluoromethoxy)phenoxy]propan-1-ol
CID 102674553
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-5-methylaniline
CID 102713939
[2-[3-bromo-4-(trifluoromethoxy)phenoxy]-1,3-oxazol-4-yl]methanamine
CID 102714960
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-amine
CID 102714952
2-bromo-4-hept-6-enoxy-1-(trifluoromethoxy)benzene
CID 107007309

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-3,5-difluoropyridine?
The IUPAC name of 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-3,5-difluoropyridine (CID 102714035) is 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-3,5-difluoropyridine.
What is the SMILES notation for 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-3,5-difluoropyridine?
The canonical SMILES for 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-3,5-difluoropyridine is Fc1cnc(Oc2ccc(OC(F)(F)F)c(Br)c2)c(F)c1.
What is the InChIKey of 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-3,5-difluoropyridine?
The InChIKey is FFDJKZFUIWRBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrF5NO2/c13-8-4-7(1-2-10(8)21-12(16,17)18)20-11-9(15)3-6(14)5-19-11/h1-5H.
What are the key properties of 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-3,5-difluoropyridine?
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-3,5-difluoropyridine has a molecular weight of 370.07 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-3,5-difluoropyridine is sourced from PubChem (CID 102714035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).