2-[5-[2-[2-(difluoromethoxy)phenyl]phenyl]tetrazol-1-yl]benzonitrile

C21H13F2N5O — CID 73052677

IUPAC2-[5-[2-[2-(difluoromethoxy)phenyl]phenyl]tetrazol-1-yl]benzonitrile
SMILESN#Cc1ccccc1-n1nnnc1-c1ccccc1-c1ccccc1OC(F)F
InChIInChI=1S/C21H13F2N5O/c22-21(23)29-19-12-6-4-9-16(19)15-8-2-3-10-17(15)20-25-26-27-28(20)18-11-5-1-7-14(18)13-24/h1-12,21H
InChIKeyCIFMLDOHPGQUOU-UHFFFAOYSA-N
MW389.37 g/mol
LogP4.47
Rot. Bonds5

About 2-[5-[2-[2-(difluoromethoxy)phenyl]phenyl]tetrazol-1-yl]benzonitrile

2-[5-[2-[2-(difluoromethoxy)phenyl]phenyl]tetrazol-1-yl]benzonitrile (PubChem CID 73052677) has the molecular formula C21H13F2N5O and a molecular weight of 389.37 g/mol. Its IUPAC name is 2-[5-[2-[2-(difluoromethoxy)phenyl]phenyl]tetrazol-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[5-[2-[2-(difluoromethoxy)phenyl]phenyl]tetrazol-1-yl]benzonitrile
PubChem CID73052677
Molecular FormulaC21H13F2N5O
Molecular Weight389.37 g/mol
Exact Mass389.11
IUPAC Name2-[5-[2-[2-(difluoromethoxy)phenyl]phenyl]tetrazol-1-yl]benzonitrile
SMILESN#Cc1ccccc1-n1nnnc1-c1ccccc1-c1ccccc1OC(F)F
InChIInChI=1S/C21H13F2N5O/c22-21(23)29-19-12-6-4-9-16(19)15-8-2-3-10-17(15)20-25-26-27-28(20)18-11-5-1-7-14(18)13-24/h1-12,21H
InChIKeyCIFMLDOHPGQUOU-UHFFFAOYSA-N
XLogP4.47
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[2-(difluoromethoxy)phenyl]phenyl]tetrazol-1-yl]benzonitrile?
The IUPAC name of 2-[5-[2-[2-(difluoromethoxy)phenyl]phenyl]tetrazol-1-yl]benzonitrile (CID 73052677) is 2-[5-[2-[2-(difluoromethoxy)phenyl]phenyl]tetrazol-1-yl]benzonitrile.
What is the SMILES notation for 2-[5-[2-[2-(difluoromethoxy)phenyl]phenyl]tetrazol-1-yl]benzonitrile?
The canonical SMILES for 2-[5-[2-[2-(difluoromethoxy)phenyl]phenyl]tetrazol-1-yl]benzonitrile is N#Cc1ccccc1-n1nnnc1-c1ccccc1-c1ccccc1OC(F)F.
What is the InChIKey of 2-[5-[2-[2-(difluoromethoxy)phenyl]phenyl]tetrazol-1-yl]benzonitrile?
The InChIKey is CIFMLDOHPGQUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2N5O/c22-21(23)29-19-12-6-4-9-16(19)15-8-2-3-10-17(15)20-25-26-27-28(20)18-11-5-1-7-14(18)13-24/h1-12,21H.
What are the key properties of 2-[5-[2-[2-(difluoromethoxy)phenyl]phenyl]tetrazol-1-yl]benzonitrile?
2-[5-[2-[2-(difluoromethoxy)phenyl]phenyl]tetrazol-1-yl]benzonitrile has a molecular weight of 389.37 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[2-(difluoromethoxy)phenyl]phenyl]tetrazol-1-yl]benzonitrile is sourced from PubChem (CID 73052677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).