2-[2-(difluoromethyl)quinazolin-4-yl]oxy-6-fluorobenzonitrile

C16H8F3N3O — CID 133391455

IUPAC2-[2-(difluoromethyl)quinazolin-4-yl]oxy-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Oc1nc(C(F)F)nc2ccccc12
InChIInChI=1S/C16H8F3N3O/c17-11-5-3-7-13(10(11)8-20)23-16-9-4-1-2-6-12(9)21-15(22-16)14(18)19/h1-7,14H
InChIKeyUYQOPMUWKIVGNH-UHFFFAOYSA-N
MW315.25 g/mol
LogP4.37
Rot. Bonds3

About 2-[2-(difluoromethyl)quinazolin-4-yl]oxy-6-fluorobenzonitrile

2-[2-(difluoromethyl)quinazolin-4-yl]oxy-6-fluorobenzonitrile (PubChem CID 133391455) has the molecular formula C16H8F3N3O and a molecular weight of 315.25 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)quinazolin-4-yl]oxy-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[2-(difluoromethyl)quinazolin-4-yl]oxy-6-fluorobenzonitrile
PubChem CID133391455
Molecular FormulaC16H8F3N3O
Molecular Weight315.25 g/mol
Exact Mass315.06
IUPAC Name2-[2-(difluoromethyl)quinazolin-4-yl]oxy-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Oc1nc(C(F)F)nc2ccccc12
InChIInChI=1S/C16H8F3N3O/c17-11-5-3-7-13(10(11)8-20)23-16-9-4-1-2-6-12(9)21-15(22-16)14(18)19/h1-7,14H
InChIKeyUYQOPMUWKIVGNH-UHFFFAOYSA-N
XLogP4.37
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)quinazolin-4-yl]oxy-6-fluorobenzonitrile?
The IUPAC name of 2-[2-(difluoromethyl)quinazolin-4-yl]oxy-6-fluorobenzonitrile (CID 133391455) is 2-[2-(difluoromethyl)quinazolin-4-yl]oxy-6-fluorobenzonitrile.
What is the SMILES notation for 2-[2-(difluoromethyl)quinazolin-4-yl]oxy-6-fluorobenzonitrile?
The canonical SMILES for 2-[2-(difluoromethyl)quinazolin-4-yl]oxy-6-fluorobenzonitrile is N#Cc1c(F)cccc1Oc1nc(C(F)F)nc2ccccc12.
What is the InChIKey of 2-[2-(difluoromethyl)quinazolin-4-yl]oxy-6-fluorobenzonitrile?
The InChIKey is UYQOPMUWKIVGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F3N3O/c17-11-5-3-7-13(10(11)8-20)23-16-9-4-1-2-6-12(9)21-15(22-16)14(18)19/h1-7,14H.
What are the key properties of 2-[2-(difluoromethyl)quinazolin-4-yl]oxy-6-fluorobenzonitrile?
2-[2-(difluoromethyl)quinazolin-4-yl]oxy-6-fluorobenzonitrile has a molecular weight of 315.25 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)quinazolin-4-yl]oxy-6-fluorobenzonitrile is sourced from PubChem (CID 133391455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).