2,2,5-trifluoro-4,6-diphenyl-1-oxa-3-aza-2-boranuidacyclohexa-3,5-diene

C15H10BF3NO- — CID 177465287

IUPAC2,2,5-trifluoro-4,6-diphenyl-1-oxa-3-aza-2-boranuidacyclohexa-3,5-diene
SMILESFC1=C(c2ccccc2)O[B-](F)(F)N=C1c1ccccc1
InChIInChI=1S/C15H10BF3NO/c17-13-14(11-7-3-1-4-8-11)20-16(18,19)21-15(13)12-9-5-2-6-10-12/h1-10H/q-1
InChIKeyWXXGECFFLWAQGB-UHFFFAOYSA-N
MW288.06 g/mol
LogP4.22
Rot. Bonds2

About 2,2,5-trifluoro-4,6-diphenyl-1-oxa-3-aza-2-boranuidacyclohexa-3,5-diene

2,2,5-trifluoro-4,6-diphenyl-1-oxa-3-aza-2-boranuidacyclohexa-3,5-diene (PubChem CID 177465287) has the molecular formula C15H10BF3NO- and a molecular weight of 288.06 g/mol. Its IUPAC name is 2,2,5-trifluoro-4,6-diphenyl-1-oxa-3-aza-2-boranuidacyclohexa-3,5-diene.

Molecular Properties

Compound Name2,2,5-trifluoro-4,6-diphenyl-1-oxa-3-aza-2-boranuidacyclohexa-3,5-diene
PubChem CID177465287
Molecular FormulaC15H10BF3NO-
Molecular Weight288.06 g/mol
Exact Mass288.08
IUPAC Name2,2,5-trifluoro-4,6-diphenyl-1-oxa-3-aza-2-boranuidacyclohexa-3,5-diene
SMILESFC1=C(c2ccccc2)O[B-](F)(F)N=C1c1ccccc1
InChIInChI=1S/C15H10BF3NO/c17-13-14(11-7-3-1-4-8-11)20-16(18,19)21-15(13)12-9-5-2-6-10-12/h1-10H/q-1
InChIKeyWXXGECFFLWAQGB-UHFFFAOYSA-N
XLogP4.22
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.06
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2,2,5-trifluoro-4,6-diphenyl-1-oxa-3-aza-2-boranuidacyclohexa-3,5-diene with MolForge

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Related Compounds

1,1'-biphenyl;molecular hydrogen
CID 173033571
2,5-dimethyl-3,6-diphenyl-1,4-dioxine
CID 86144116
benzene;tris(1,1'-biphenyl)
CID 162155747
fluorobenzene;nickel
CID 175250202
chlorobenzene;(3E,5Z,10E,12E,16E,18E)-4-[(3E,5Z,10E,12E,16E,18E)-1,8-difluoro-5-iodo-11,12,17,18-tetraphenyl-2,7,9,14,15,20-hexaoxa-3,6,10,13,16,19-hexaza-1,8-diboranuidabicyclo[6.6.6]icosa-3,5,10,12,16,18-hexaen-4-yl]-1,8-difluoro-5-iodo-11,12,17,18-tetraphenyl-2,7,9,14,15,20-hexaoxa-3,6,10,13,16,19-hexaza-1,8-diboranuidabicyclo[6.6.6]icosa-3,5,10,12,16,18-hexaene;bis(iron(2+))
CID 139164755
18,18-difluoro-16-phenyl-17-oxa-1-azonia-18-boranuidatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15-octaene
CID 139177099
CID 53446764
CID 53446764
1,1'-biphenyl;mercury
CID 67099988
1,1'-biphenyl;hydrofluoride
CID 67516975
bis(1,1'-biphenyl);sulfane
CID 22247507
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
1,1'-biphenyl;indigane
CID 174363765

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trifluoro-4,6-diphenyl-1-oxa-3-aza-2-boranuidacyclohexa-3,5-diene?
The IUPAC name of 2,2,5-trifluoro-4,6-diphenyl-1-oxa-3-aza-2-boranuidacyclohexa-3,5-diene (CID 177465287) is 2,2,5-trifluoro-4,6-diphenyl-1-oxa-3-aza-2-boranuidacyclohexa-3,5-diene.
What is the SMILES notation for 2,2,5-trifluoro-4,6-diphenyl-1-oxa-3-aza-2-boranuidacyclohexa-3,5-diene?
The canonical SMILES for 2,2,5-trifluoro-4,6-diphenyl-1-oxa-3-aza-2-boranuidacyclohexa-3,5-diene is FC1=C(c2ccccc2)O[B-](F)(F)N=C1c1ccccc1.
What is the InChIKey of 2,2,5-trifluoro-4,6-diphenyl-1-oxa-3-aza-2-boranuidacyclohexa-3,5-diene?
The InChIKey is WXXGECFFLWAQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BF3NO/c17-13-14(11-7-3-1-4-8-11)20-16(18,19)21-15(13)12-9-5-2-6-10-12/h1-10H/q-1.
What are the key properties of 2,2,5-trifluoro-4,6-diphenyl-1-oxa-3-aza-2-boranuidacyclohexa-3,5-diene?
2,2,5-trifluoro-4,6-diphenyl-1-oxa-3-aza-2-boranuidacyclohexa-3,5-diene has a molecular weight of 288.06 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trifluoro-4,6-diphenyl-1-oxa-3-aza-2-boranuidacyclohexa-3,5-diene is sourced from PubChem (CID 177465287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).