trifluoro-(2-propan-2-yloxynaphthalen-1-yl)boranuide

C13H13BF3O- — CID 63677449

IUPACtrifluoro-(2-propan-2-yloxynaphthalen-1-yl)boranuide
SMILESCC(C)Oc1ccc2ccccc2c1[B-](F)(F)F
InChIInChI=1S/C13H13BF3O/c1-9(2)18-12-8-7-10-5-3-4-6-11(10)13(12)14(15,16)17/h3-9H,1-2H3/q-1
InChIKeyZLHLQYKNWLUYDR-UHFFFAOYSA-N
MW253.05 g/mol
LogP3.68
Rot. Bonds3

About trifluoro-(2-propan-2-yloxynaphthalen-1-yl)boranuide

trifluoro-(2-propan-2-yloxynaphthalen-1-yl)boranuide (PubChem CID 63677449) has the molecular formula C13H13BF3O- and a molecular weight of 253.05 g/mol. Its IUPAC name is trifluoro-(2-propan-2-yloxynaphthalen-1-yl)boranuide.

Molecular Properties

Compound Nametrifluoro-(2-propan-2-yloxynaphthalen-1-yl)boranuide
PubChem CID63677449
Molecular FormulaC13H13BF3O-
Molecular Weight253.05 g/mol
Exact Mass253.10
IUPAC Nametrifluoro-(2-propan-2-yloxynaphthalen-1-yl)boranuide
SMILESCC(C)Oc1ccc2ccccc2c1[B-](F)(F)F
InChIInChI=1S/C13H13BF3O/c1-9(2)18-12-8-7-10-5-3-4-6-11(10)13(12)14(15,16)17/h3-9H,1-2H3/q-1
InChIKeyZLHLQYKNWLUYDR-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.05
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trifluoro-(2-methoxynaphthalen-1-yl)boranuide
CID 63677245
potassium trifluoro-(2-methoxynaphthalen-1-yl)boranuide
CID 63677244
(2-butoxynaphthalen-1-yl)-trifluoroboranuide
CID 63677253
2-propan-2-yloxynaphthalen-1-ol
CID 23272530
trifluoro-[2-(2-methylprop-2-enoxy)naphthalen-1-yl]boranuide
CID 63677261
(2-propan-2-yloxynaphthalen-1-yl)boronic acid
CID 54911254
potassium trifluoro-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]boranuide
CID 63677250
1-propan-2-yloxyperylene
CID 57281730
trifluoro-(2-propan-2-yloxyphenyl)boranuide
CID 63677239
N-methyl-2-(2-propan-2-yloxynaphthalen-1-yl)ethanamine
CID 82550374
potassium trifluoro-(2-propan-2-yloxyphenyl)boranuide
CID 63677238
1,2-di(propan-2-yloxy)anthracene
CID 174565596

Frequently Asked Questions

What is the IUPAC name of trifluoro-(2-propan-2-yloxynaphthalen-1-yl)boranuide?
The IUPAC name of trifluoro-(2-propan-2-yloxynaphthalen-1-yl)boranuide (CID 63677449) is trifluoro-(2-propan-2-yloxynaphthalen-1-yl)boranuide.
What is the SMILES notation for trifluoro-(2-propan-2-yloxynaphthalen-1-yl)boranuide?
The canonical SMILES for trifluoro-(2-propan-2-yloxynaphthalen-1-yl)boranuide is CC(C)Oc1ccc2ccccc2c1[B-](F)(F)F.
What is the InChIKey of trifluoro-(2-propan-2-yloxynaphthalen-1-yl)boranuide?
The InChIKey is ZLHLQYKNWLUYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BF3O/c1-9(2)18-12-8-7-10-5-3-4-6-11(10)13(12)14(15,16)17/h3-9H,1-2H3/q-1.
What are the key properties of trifluoro-(2-propan-2-yloxynaphthalen-1-yl)boranuide?
trifluoro-(2-propan-2-yloxynaphthalen-1-yl)boranuide has a molecular weight of 253.05 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(2-propan-2-yloxynaphthalen-1-yl)boranuide is sourced from PubChem (CID 63677449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).