trifluoro-[2-(2-methylprop-2-enoxy)naphthalen-1-yl]boranuide

C14H13BF3O- — CID 63677261

IUPACtrifluoro-[2-(2-methylprop-2-enoxy)naphthalen-1-yl]boranuide
SMILESC=C(C)COc1ccc2ccccc2c1[B-](F)(F)F
InChIInChI=1S/C14H13BF3O/c1-10(2)9-19-13-8-7-11-5-3-4-6-12(11)14(13)15(16,17)18/h3-8H,1,9H2,2H3/q-1
InChIKeyJHQCIKQOBAWTHR-UHFFFAOYSA-N
MW265.06 g/mol
LogP3.85
Rot. Bonds4

About trifluoro-[2-(2-methylprop-2-enoxy)naphthalen-1-yl]boranuide

trifluoro-[2-(2-methylprop-2-enoxy)naphthalen-1-yl]boranuide (PubChem CID 63677261) has the molecular formula C14H13BF3O- and a molecular weight of 265.06 g/mol. Its IUPAC name is trifluoro-[2-(2-methylprop-2-enoxy)naphthalen-1-yl]boranuide.

Molecular Properties

Compound Nametrifluoro-[2-(2-methylprop-2-enoxy)naphthalen-1-yl]boranuide
PubChem CID63677261
Molecular FormulaC14H13BF3O-
Molecular Weight265.06 g/mol
Exact Mass265.10
IUPAC Nametrifluoro-[2-(2-methylprop-2-enoxy)naphthalen-1-yl]boranuide
SMILESC=C(C)COc1ccc2ccccc2c1[B-](F)(F)F
InChIInChI=1S/C14H13BF3O/c1-10(2)9-19-13-8-7-11-5-3-4-6-12(11)14(13)15(16,17)18/h3-8H,1,9H2,2H3/q-1
InChIKeyJHQCIKQOBAWTHR-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.06
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

potassium trifluoro-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]boranuide
CID 63677250
1,2-bis(2-methylprop-2-enoxy)naphthalene
CID 139631746
trifluoro-(2-methoxynaphthalen-1-yl)boranuide
CID 63677245
(2-butoxynaphthalen-1-yl)-trifluoroboranuide
CID 63677253
potassium trifluoro-(2-methoxynaphthalen-1-yl)boranuide
CID 63677244
2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde
CID 4737132
trifluoro-(2-propan-2-yloxynaphthalen-1-yl)boranuide
CID 63677449
1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
trifluoro-[5-fluoro-2-(2-methylprop-2-enoxy)phenyl]boranuide
CID 63704334
2-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methylamino]butan-1-ol
CID 54849156
1-methyl-2-(2-methylprop-2-enoxy)benzene
CID 4157656
1-(2-methylprop-2-enoxy)-2-phenylbenzene
CID 70267118

Frequently Asked Questions

What is the IUPAC name of trifluoro-[2-(2-methylprop-2-enoxy)naphthalen-1-yl]boranuide?
The IUPAC name of trifluoro-[2-(2-methylprop-2-enoxy)naphthalen-1-yl]boranuide (CID 63677261) is trifluoro-[2-(2-methylprop-2-enoxy)naphthalen-1-yl]boranuide.
What is the SMILES notation for trifluoro-[2-(2-methylprop-2-enoxy)naphthalen-1-yl]boranuide?
The canonical SMILES for trifluoro-[2-(2-methylprop-2-enoxy)naphthalen-1-yl]boranuide is C=C(C)COc1ccc2ccccc2c1[B-](F)(F)F.
What is the InChIKey of trifluoro-[2-(2-methylprop-2-enoxy)naphthalen-1-yl]boranuide?
The InChIKey is JHQCIKQOBAWTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BF3O/c1-10(2)9-19-13-8-7-11-5-3-4-6-12(11)14(13)15(16,17)18/h3-8H,1,9H2,2H3/q-1.
What are the key properties of trifluoro-[2-(2-methylprop-2-enoxy)naphthalen-1-yl]boranuide?
trifluoro-[2-(2-methylprop-2-enoxy)naphthalen-1-yl]boranuide has a molecular weight of 265.06 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[2-(2-methylprop-2-enoxy)naphthalen-1-yl]boranuide is sourced from PubChem (CID 63677261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).