4-(difluoromethoxy)-2,6-difluorobenzonitrile

C8H3F4NO — CID 53417928

IUPAC4-(difluoromethoxy)-2,6-difluorobenzonitrile
SMILESN#Cc1c(F)cc(OC(F)F)cc1F
InChIInChI=1S/C8H3F4NO/c9-6-1-4(14-8(11)12)2-7(10)5(6)3-13/h1-2,8H
InChIKeyUKUBMSGIMQDVNC-UHFFFAOYSA-N
MW205.11 g/mol
LogP2.44
Rot. Bonds2

About 4-(difluoromethoxy)-2,6-difluorobenzonitrile

4-(difluoromethoxy)-2,6-difluorobenzonitrile (PubChem CID 53417928) has the molecular formula C8H3F4NO and a molecular weight of 205.11 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2,6-difluorobenzonitrile.

Molecular Properties

Compound Name4-(difluoromethoxy)-2,6-difluorobenzonitrile
PubChem CID53417928
Molecular FormulaC8H3F4NO
Molecular Weight205.11 g/mol
Exact Mass205.02
IUPAC Name4-(difluoromethoxy)-2,6-difluorobenzonitrile
SMILESN#Cc1c(F)cc(OC(F)F)cc1F
InChIInChI=1S/C8H3F4NO/c9-6-1-4(14-8(11)12)2-7(10)5(6)3-13/h1-2,8H
InChIKeyUKUBMSGIMQDVNC-UHFFFAOYSA-N
XLogP2.44
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.11
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2,6-difluorobenzonitrile?
The IUPAC name of 4-(difluoromethoxy)-2,6-difluorobenzonitrile (CID 53417928) is 4-(difluoromethoxy)-2,6-difluorobenzonitrile.
What is the SMILES notation for 4-(difluoromethoxy)-2,6-difluorobenzonitrile?
The canonical SMILES for 4-(difluoromethoxy)-2,6-difluorobenzonitrile is N#Cc1c(F)cc(OC(F)F)cc1F.
What is the InChIKey of 4-(difluoromethoxy)-2,6-difluorobenzonitrile?
The InChIKey is UKUBMSGIMQDVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F4NO/c9-6-1-4(14-8(11)12)2-7(10)5(6)3-13/h1-2,8H.
What are the key properties of 4-(difluoromethoxy)-2,6-difluorobenzonitrile?
4-(difluoromethoxy)-2,6-difluorobenzonitrile has a molecular weight of 205.11 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2,6-difluorobenzonitrile is sourced from PubChem (CID 53417928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).