[4-[2,6-difluorooxy-4-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl] hypofluorite

C19H11F3N4O3 — CID 175061772

IUPAC[4-[2,6-difluorooxy-4-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl] hypofluorite
SMILESFOc1ccc(-c2c(OF)cc(-n3cc(-c4ccccn4)nn3)cc2OF)cc1
InChIInChI=1S/C19H11F3N4O3/c20-27-14-6-4-12(5-7-14)19-17(28-21)9-13(10-18(19)29-22)26-11-16(24-25-26)15-3-1-2-8-23-15/h1-11H
InChIKeyBECKHVRZCJHPHQ-UHFFFAOYSA-N
MW400.32 g/mol
LogP4.79
Rot. Bonds6

About [4-[2,6-difluorooxy-4-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl] hypofluorite

[4-[2,6-difluorooxy-4-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl] hypofluorite (PubChem CID 175061772) has the molecular formula C19H11F3N4O3 and a molecular weight of 400.32 g/mol. Its IUPAC name is [4-[2,6-difluorooxy-4-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl] hypofluorite.

Molecular Properties

Compound Name[4-[2,6-difluorooxy-4-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl] hypofluorite
PubChem CID175061772
Molecular FormulaC19H11F3N4O3
Molecular Weight400.32 g/mol
Exact Mass400.08
IUPAC Name[4-[2,6-difluorooxy-4-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl] hypofluorite
SMILESFOc1ccc(-c2c(OF)cc(-n3cc(-c4ccccn4)nn3)cc2OF)cc1
InChIInChI=1S/C19H11F3N4O3/c20-27-14-6-4-12(5-7-14)19-17(28-21)9-13(10-18(19)29-22)26-11-16(24-25-26)15-3-1-2-8-23-15/h1-11H
InChIKeyBECKHVRZCJHPHQ-UHFFFAOYSA-N
XLogP4.79
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.32
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[2,6-difluorooxy-4-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl] hypofluorite?
The IUPAC name of [4-[2,6-difluorooxy-4-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl] hypofluorite (CID 175061772) is [4-[2,6-difluorooxy-4-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl] hypofluorite.
What is the SMILES notation for [4-[2,6-difluorooxy-4-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl] hypofluorite?
The canonical SMILES for [4-[2,6-difluorooxy-4-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl] hypofluorite is FOc1ccc(-c2c(OF)cc(-n3cc(-c4ccccn4)nn3)cc2OF)cc1.
What is the InChIKey of [4-[2,6-difluorooxy-4-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl] hypofluorite?
The InChIKey is BECKHVRZCJHPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N4O3/c20-27-14-6-4-12(5-7-14)19-17(28-21)9-13(10-18(19)29-22)26-11-16(24-25-26)15-3-1-2-8-23-15/h1-11H.
What are the key properties of [4-[2,6-difluorooxy-4-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl] hypofluorite?
[4-[2,6-difluorooxy-4-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl] hypofluorite has a molecular weight of 400.32 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2,6-difluorooxy-4-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl] hypofluorite is sourced from PubChem (CID 175061772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).