2-bromo-1-[2-bromo-3-(difluoromethyl)phenoxy]-3-(difluoromethyl)benzene

C14H8Br2F4O — CID 141467496

IUPAC2-bromo-1-[2-bromo-3-(difluoromethyl)phenoxy]-3-(difluoromethyl)benzene
SMILESFC(F)c1cccc(Oc2cccc(C(F)F)c2Br)c1Br
InChIInChI=1S/C14H8Br2F4O/c15-11-7(13(17)18)3-1-5-9(11)21-10-6-2-4-8(12(10)16)14(19)20/h1-6,13-14H
InChIKeyYDLNYUQTJKMYJG-UHFFFAOYSA-N
MW428.02 g/mol
LogP6.88
Rot. Bonds4

About 2-bromo-1-[2-bromo-3-(difluoromethyl)phenoxy]-3-(difluoromethyl)benzene

2-bromo-1-[2-bromo-3-(difluoromethyl)phenoxy]-3-(difluoromethyl)benzene (PubChem CID 141467496) has the molecular formula C14H8Br2F4O and a molecular weight of 428.02 g/mol. Its IUPAC name is 2-bromo-1-[2-bromo-3-(difluoromethyl)phenoxy]-3-(difluoromethyl)benzene.

Molecular Properties

Compound Name2-bromo-1-[2-bromo-3-(difluoromethyl)phenoxy]-3-(difluoromethyl)benzene
PubChem CID141467496
Molecular FormulaC14H8Br2F4O
Molecular Weight428.02 g/mol
Exact Mass425.89
IUPAC Name2-bromo-1-[2-bromo-3-(difluoromethyl)phenoxy]-3-(difluoromethyl)benzene
SMILESFC(F)c1cccc(Oc2cccc(C(F)F)c2Br)c1Br
InChIInChI=1S/C14H8Br2F4O/c15-11-7(13(17)18)3-1-5-9(11)21-10-6-2-4-8(12(10)16)14(19)20/h1-6,13-14H
InChIKeyYDLNYUQTJKMYJG-UHFFFAOYSA-N
XLogP6.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.02
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[2-bromo-3-(difluoromethyl)phenoxy]-3-(difluoromethyl)benzene?
The IUPAC name of 2-bromo-1-[2-bromo-3-(difluoromethyl)phenoxy]-3-(difluoromethyl)benzene (CID 141467496) is 2-bromo-1-[2-bromo-3-(difluoromethyl)phenoxy]-3-(difluoromethyl)benzene.
What is the SMILES notation for 2-bromo-1-[2-bromo-3-(difluoromethyl)phenoxy]-3-(difluoromethyl)benzene?
The canonical SMILES for 2-bromo-1-[2-bromo-3-(difluoromethyl)phenoxy]-3-(difluoromethyl)benzene is FC(F)c1cccc(Oc2cccc(C(F)F)c2Br)c1Br.
What is the InChIKey of 2-bromo-1-[2-bromo-3-(difluoromethyl)phenoxy]-3-(difluoromethyl)benzene?
The InChIKey is YDLNYUQTJKMYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2F4O/c15-11-7(13(17)18)3-1-5-9(11)21-10-6-2-4-8(12(10)16)14(19)20/h1-6,13-14H.
What are the key properties of 2-bromo-1-[2-bromo-3-(difluoromethyl)phenoxy]-3-(difluoromethyl)benzene?
2-bromo-1-[2-bromo-3-(difluoromethyl)phenoxy]-3-(difluoromethyl)benzene has a molecular weight of 428.02 g/mol, XLogP of 6.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[2-bromo-3-(difluoromethyl)phenoxy]-3-(difluoromethyl)benzene is sourced from PubChem (CID 141467496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).