(2-butoxynaphthalen-1-yl)-trifluoroboranuide

C14H15BF3O- — CID 63677253

IUPAC(2-butoxynaphthalen-1-yl)-trifluoroboranuide
SMILESCCCCOc1ccc2ccccc2c1[B-](F)(F)F
InChIInChI=1S/C14H15BF3O/c1-2-3-10-19-13-9-8-11-6-4-5-7-12(11)14(13)15(16,17)18/h4-9H,2-3,10H2,1H3/q-1
InChIKeyWEQFOFBCSSHUAL-UHFFFAOYSA-N
MW267.08 g/mol
LogP4.07
Rot. Bonds5

About (2-butoxynaphthalen-1-yl)-trifluoroboranuide

(2-butoxynaphthalen-1-yl)-trifluoroboranuide (PubChem CID 63677253) has the molecular formula C14H15BF3O- and a molecular weight of 267.08 g/mol. Its IUPAC name is (2-butoxynaphthalen-1-yl)-trifluoroboranuide.

Molecular Properties

Compound Name(2-butoxynaphthalen-1-yl)-trifluoroboranuide
PubChem CID63677253
Molecular FormulaC14H15BF3O-
Molecular Weight267.08 g/mol
Exact Mass267.12
IUPAC Name(2-butoxynaphthalen-1-yl)-trifluoroboranuide
SMILESCCCCOc1ccc2ccccc2c1[B-](F)(F)F
InChIInChI=1S/C14H15BF3O/c1-2-3-10-19-13-9-8-11-6-4-5-7-12(11)14(13)15(16,17)18/h4-9H,2-3,10H2,1H3/q-1
InChIKeyWEQFOFBCSSHUAL-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
trifluoro-[2-(2-methylprop-2-enoxy)naphthalen-1-yl]boranuide
CID 63677261
trifluoro-(2-propan-2-yloxynaphthalen-1-yl)boranuide
CID 63677449
1,4-dibutoxynaphthalene
CID 22016411
1-butoxynaphthalene
CID 13262700
potassium trifluoro-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]boranuide
CID 63677250
1-butoxyperylene
CID 175026597
1-ethyl-2-propoxynaphthalene
CID 129259410
1-bromo-2-nonoxynaphthalene
CID 63529773
3-(2-butoxynaphthalen-1-yl)propan-1-amine
CID 170867884
1,4-didodecoxynaphthalene
CID 21304164

Frequently Asked Questions

What is the IUPAC name of (2-butoxynaphthalen-1-yl)-trifluoroboranuide?
The IUPAC name of (2-butoxynaphthalen-1-yl)-trifluoroboranuide (CID 63677253) is (2-butoxynaphthalen-1-yl)-trifluoroboranuide.
What is the SMILES notation for (2-butoxynaphthalen-1-yl)-trifluoroboranuide?
The canonical SMILES for (2-butoxynaphthalen-1-yl)-trifluoroboranuide is CCCCOc1ccc2ccccc2c1[B-](F)(F)F.
What is the InChIKey of (2-butoxynaphthalen-1-yl)-trifluoroboranuide?
The InChIKey is WEQFOFBCSSHUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BF3O/c1-2-3-10-19-13-9-8-11-6-4-5-7-12(11)14(13)15(16,17)18/h4-9H,2-3,10H2,1H3/q-1.
What are the key properties of (2-butoxynaphthalen-1-yl)-trifluoroboranuide?
(2-butoxynaphthalen-1-yl)-trifluoroboranuide has a molecular weight of 267.08 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butoxynaphthalen-1-yl)-trifluoroboranuide is sourced from PubChem (CID 63677253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).