trifluoro-(2-methoxynaphthalen-1-yl)boranuide

C11H9BF3O- — CID 63677245

IUPACtrifluoro-(2-methoxynaphthalen-1-yl)boranuide
SMILESCOc1ccc2ccccc2c1[B-](F)(F)F
InChIInChI=1S/C11H9BF3O/c1-16-10-7-6-8-4-2-3-5-9(8)11(10)12(13,14)15/h2-7H,1H3/q-1
InChIKeyPLDNKHGCXGMCFV-UHFFFAOYSA-N
MW225.00 g/mol
LogP2.90
Rot. Bonds2

About trifluoro-(2-methoxynaphthalen-1-yl)boranuide

trifluoro-(2-methoxynaphthalen-1-yl)boranuide (PubChem CID 63677245) has the molecular formula C11H9BF3O- and a molecular weight of 225.00 g/mol. Its IUPAC name is trifluoro-(2-methoxynaphthalen-1-yl)boranuide.

Molecular Properties

Compound Nametrifluoro-(2-methoxynaphthalen-1-yl)boranuide
PubChem CID63677245
Molecular FormulaC11H9BF3O-
Molecular Weight225.00 g/mol
Exact Mass225.07
IUPAC Nametrifluoro-(2-methoxynaphthalen-1-yl)boranuide
SMILESCOc1ccc2ccccc2c1[B-](F)(F)F
InChIInChI=1S/C11H9BF3O/c1-16-10-7-6-8-4-2-3-5-9(8)11(10)12(13,14)15/h2-7H,1H3/q-1
InChIKeyPLDNKHGCXGMCFV-UHFFFAOYSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.00
LogP ≤ 52.90
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

potassium trifluoro-(2-methoxynaphthalen-1-yl)boranuide
CID 63677244
trifluoro-(2-propan-2-yloxynaphthalen-1-yl)boranuide
CID 63677449
(2-butoxynaphthalen-1-yl)-trifluoroboranuide
CID 63677253
trifluoro-[2-(2-methylprop-2-enoxy)naphthalen-1-yl]boranuide
CID 63677261
potassium trifluoro-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]boranuide
CID 63677250
2-methoxy-1-(2-methoxynaphthalen-1-yl)oxynaphthalene
CID 168858344
2-methoxy-1-(trimethyl-λ4-selanyl)naphthalene
CID 175262224
2-methoxy-1-[2-(2-methoxynaphthalen-1-yl)-3,4,5,6-tetraphenylphenyl]naphthalene
CID 11017918
2-methoxy-1-(trifluoromethoxy)naphthalene
CID 149345741
1-ethoxy-2-methoxynaphthalene
CID 45093938
2-methoxynaphthalene-1-sulfinic acid
CID 1484864
(R)-2-methoxynaphthalene-1-sulfinamide
CID 40542898

Frequently Asked Questions

What is the IUPAC name of trifluoro-(2-methoxynaphthalen-1-yl)boranuide?
The IUPAC name of trifluoro-(2-methoxynaphthalen-1-yl)boranuide (CID 63677245) is trifluoro-(2-methoxynaphthalen-1-yl)boranuide.
What is the SMILES notation for trifluoro-(2-methoxynaphthalen-1-yl)boranuide?
The canonical SMILES for trifluoro-(2-methoxynaphthalen-1-yl)boranuide is COc1ccc2ccccc2c1[B-](F)(F)F.
What is the InChIKey of trifluoro-(2-methoxynaphthalen-1-yl)boranuide?
The InChIKey is PLDNKHGCXGMCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BF3O/c1-16-10-7-6-8-4-2-3-5-9(8)11(10)12(13,14)15/h2-7H,1H3/q-1.
What are the key properties of trifluoro-(2-methoxynaphthalen-1-yl)boranuide?
trifluoro-(2-methoxynaphthalen-1-yl)boranuide has a molecular weight of 225.00 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(2-methoxynaphthalen-1-yl)boranuide is sourced from PubChem (CID 63677245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).