trifluoro-[(4-naphthalen-1-yltriazol-1-yl)methyl]boranuide

C13H10BF3N3- — CID 102386894

IUPACtrifluoro-[(4-naphthalen-1-yltriazol-1-yl)methyl]boranuide
SMILESF[B-](F)(F)Cn1cc(-c2cccc3ccccc23)nn1
InChIInChI=1S/C13H10BF3N3/c15-14(16,17)9-20-8-13(18-19-20)12-7-3-5-10-4-1-2-6-11(10)12/h1-8H,9H2/q-1
InChIKeyPDPRCPRAQRRNCU-UHFFFAOYSA-N
MW276.05 g/mol
LogP3.48
Rot. Bonds3

About trifluoro-[(4-naphthalen-1-yltriazol-1-yl)methyl]boranuide

trifluoro-[(4-naphthalen-1-yltriazol-1-yl)methyl]boranuide (PubChem CID 102386894) has the molecular formula C13H10BF3N3- and a molecular weight of 276.05 g/mol. Its IUPAC name is trifluoro-[(4-naphthalen-1-yltriazol-1-yl)methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[(4-naphthalen-1-yltriazol-1-yl)methyl]boranuide
PubChem CID102386894
Molecular FormulaC13H10BF3N3-
Molecular Weight276.05 g/mol
Exact Mass276.09
IUPAC Nametrifluoro-[(4-naphthalen-1-yltriazol-1-yl)methyl]boranuide
SMILESF[B-](F)(F)Cn1cc(-c2cccc3ccccc23)nn1
InChIInChI=1S/C13H10BF3N3/c15-14(16,17)9-20-8-13(18-19-20)12-7-3-5-10-4-1-2-6-11(10)12/h1-8H,9H2/q-1
InChIKeyPDPRCPRAQRRNCU-UHFFFAOYSA-N
XLogP3.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.05
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trifluoro-[(4-phenyltriazol-1-yl)methyl]boranuide
CID 102386878
4-(4-naphthalen-1-yltriazol-1-yl)benzoic acid
CID 66616177
1-(anthracen-9-ylmethyl)-4-(2-chlorophenyl)triazole
CID 50999013
5-[1-[2-(2,6-difluorophenyl)ethyl]triazol-4-yl]isoquinoline
CID 166360478
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
potassium trifluoro-[[4-(phenylsulfanylmethyl)triazol-1-yl]methyl]boranuide
CID 102386891
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
CID 175282704
CID 175282704
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)pyrimidine
CID 11618422

Frequently Asked Questions

What is the IUPAC name of trifluoro-[(4-naphthalen-1-yltriazol-1-yl)methyl]boranuide?
The IUPAC name of trifluoro-[(4-naphthalen-1-yltriazol-1-yl)methyl]boranuide (CID 102386894) is trifluoro-[(4-naphthalen-1-yltriazol-1-yl)methyl]boranuide.
What is the SMILES notation for trifluoro-[(4-naphthalen-1-yltriazol-1-yl)methyl]boranuide?
The canonical SMILES for trifluoro-[(4-naphthalen-1-yltriazol-1-yl)methyl]boranuide is F[B-](F)(F)Cn1cc(-c2cccc3ccccc23)nn1.
What is the InChIKey of trifluoro-[(4-naphthalen-1-yltriazol-1-yl)methyl]boranuide?
The InChIKey is PDPRCPRAQRRNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BF3N3/c15-14(16,17)9-20-8-13(18-19-20)12-7-3-5-10-4-1-2-6-11(10)12/h1-8H,9H2/q-1.
What are the key properties of trifluoro-[(4-naphthalen-1-yltriazol-1-yl)methyl]boranuide?
trifluoro-[(4-naphthalen-1-yltriazol-1-yl)methyl]boranuide has a molecular weight of 276.05 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(4-naphthalen-1-yltriazol-1-yl)methyl]boranuide is sourced from PubChem (CID 102386894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).