4-[(4-bromo-2-fluorophenyl)-difluoromethoxy]-2,6-difluorobenzonitrile

C14H5BrF5NO — CID 142292246

IUPAC4-[(4-bromo-2-fluorophenyl)-difluoromethoxy]-2,6-difluorobenzonitrile
SMILESN#Cc1c(F)cc(OC(F)(F)c2ccc(Br)cc2F)cc1F
InChIInChI=1S/C14H5BrF5NO/c15-7-1-2-10(13(18)3-7)14(19,20)22-8-4-11(16)9(6-21)12(17)5-8/h1-5H
InChIKeyHWYNLXFXQDDDAN-UHFFFAOYSA-N
MW378.09 g/mol
LogP4.87
Rot. Bonds3

About 4-[(4-bromo-2-fluorophenyl)-difluoromethoxy]-2,6-difluorobenzonitrile

4-[(4-bromo-2-fluorophenyl)-difluoromethoxy]-2,6-difluorobenzonitrile (PubChem CID 142292246) has the molecular formula C14H5BrF5NO and a molecular weight of 378.09 g/mol. Its IUPAC name is 4-[(4-bromo-2-fluorophenyl)-difluoromethoxy]-2,6-difluorobenzonitrile.

Molecular Properties

Compound Name4-[(4-bromo-2-fluorophenyl)-difluoromethoxy]-2,6-difluorobenzonitrile
PubChem CID142292246
Molecular FormulaC14H5BrF5NO
Molecular Weight378.09 g/mol
Exact Mass376.95
IUPAC Name4-[(4-bromo-2-fluorophenyl)-difluoromethoxy]-2,6-difluorobenzonitrile
SMILESN#Cc1c(F)cc(OC(F)(F)c2ccc(Br)cc2F)cc1F
InChIInChI=1S/C14H5BrF5NO/c15-7-1-2-10(13(18)3-7)14(19,20)22-8-4-11(16)9(6-21)12(17)5-8/h1-5H
InChIKeyHWYNLXFXQDDDAN-UHFFFAOYSA-N
XLogP4.87
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.09
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-fluorophenyl)-difluoromethoxy]-2,6-difluorobenzonitrile?
The IUPAC name of 4-[(4-bromo-2-fluorophenyl)-difluoromethoxy]-2,6-difluorobenzonitrile (CID 142292246) is 4-[(4-bromo-2-fluorophenyl)-difluoromethoxy]-2,6-difluorobenzonitrile.
What is the SMILES notation for 4-[(4-bromo-2-fluorophenyl)-difluoromethoxy]-2,6-difluorobenzonitrile?
The canonical SMILES for 4-[(4-bromo-2-fluorophenyl)-difluoromethoxy]-2,6-difluorobenzonitrile is N#Cc1c(F)cc(OC(F)(F)c2ccc(Br)cc2F)cc1F.
What is the InChIKey of 4-[(4-bromo-2-fluorophenyl)-difluoromethoxy]-2,6-difluorobenzonitrile?
The InChIKey is HWYNLXFXQDDDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5BrF5NO/c15-7-1-2-10(13(18)3-7)14(19,20)22-8-4-11(16)9(6-21)12(17)5-8/h1-5H.
What are the key properties of 4-[(4-bromo-2-fluorophenyl)-difluoromethoxy]-2,6-difluorobenzonitrile?
4-[(4-bromo-2-fluorophenyl)-difluoromethoxy]-2,6-difluorobenzonitrile has a molecular weight of 378.09 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-fluorophenyl)-difluoromethoxy]-2,6-difluorobenzonitrile is sourced from PubChem (CID 142292246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).