trifluoro-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]boranuide

C12H8BF6O- — CID 63677265

IUPACtrifluoro-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]boranuide
SMILESF[B-](F)(F)c1ccc2cc(OCC(F)(F)F)ccc2c1
InChIInChI=1S/C12H8BF6O/c14-12(15,16)7-20-11-4-2-8-5-10(13(17,18)19)3-1-9(8)6-11/h1-6H,7H2/q-1
InChIKeyQCPFMJPQJMPZCO-UHFFFAOYSA-N
MW293.00 g/mol
LogP3.84
Rot. Bonds3

About trifluoro-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]boranuide

trifluoro-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]boranuide (PubChem CID 63677265) has the molecular formula C12H8BF6O- and a molecular weight of 293.00 g/mol. Its IUPAC name is trifluoro-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]boranuide.

Molecular Properties

Compound Nametrifluoro-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]boranuide
PubChem CID63677265
Molecular FormulaC12H8BF6O-
Molecular Weight293.00 g/mol
Exact Mass293.06
IUPAC Nametrifluoro-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]boranuide
SMILESF[B-](F)(F)c1ccc2cc(OCC(F)(F)F)ccc2c1
InChIInChI=1S/C12H8BF6O/c14-12(15,16)7-20-11-4-2-8-5-10(13(17,18)19)3-1-9(8)6-11/h1-6H,7H2/q-1
InChIKeyQCPFMJPQJMPZCO-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.00
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trifluoro-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]boranuide?
The IUPAC name of trifluoro-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]boranuide (CID 63677265) is trifluoro-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]boranuide.
What is the SMILES notation for trifluoro-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]boranuide?
The canonical SMILES for trifluoro-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]boranuide is F[B-](F)(F)c1ccc2cc(OCC(F)(F)F)ccc2c1.
What is the InChIKey of trifluoro-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]boranuide?
The InChIKey is QCPFMJPQJMPZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BF6O/c14-12(15,16)7-20-11-4-2-8-5-10(13(17,18)19)3-1-9(8)6-11/h1-6H,7H2/q-1.
What are the key properties of trifluoro-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]boranuide?
trifluoro-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]boranuide has a molecular weight of 293.00 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]boranuide is sourced from PubChem (CID 63677265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).