potassium trifluoro-[2-(oxolan-3-yloxy)naphthalen-1-yl]boranuide

C14H13BF3KO2 — CID 63677057

IUPACpotassium trifluoro-[2-(oxolan-3-yloxy)naphthalen-1-yl]boranuide
SMILESF[B-](F)(F)c1c(OC2CCOC2)ccc2ccccc12.[K+]
InChIInChI=1S/C14H13BF3O2.K/c16-15(17,18)14-12-4-2-1-3-10(12)5-6-13(14)20-11-7-8-19-9-11;/h1-6,11H,7-9H2;/q-1;+1
InChIKeyNJLCLQRIMINEJB-UHFFFAOYSA-N
MW320.16 g/mol
LogP0.07
Rot. Bonds3

About potassium trifluoro-[2-(oxolan-3-yloxy)naphthalen-1-yl]boranuide

potassium trifluoro-[2-(oxolan-3-yloxy)naphthalen-1-yl]boranuide (PubChem CID 63677057) has the molecular formula C14H13BF3KO2 and a molecular weight of 320.16 g/mol. Its IUPAC name is potassium trifluoro-[2-(oxolan-3-yloxy)naphthalen-1-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[2-(oxolan-3-yloxy)naphthalen-1-yl]boranuide
PubChem CID63677057
Molecular FormulaC14H13BF3KO2
Molecular Weight320.16 g/mol
Exact Mass320.06
IUPAC Namepotassium trifluoro-[2-(oxolan-3-yloxy)naphthalen-1-yl]boranuide
SMILESF[B-](F)(F)c1c(OC2CCOC2)ccc2ccccc12.[K+]
InChIInChI=1S/C14H13BF3O2.K/c16-15(17,18)14-12-4-2-1-3-10(12)5-6-13(14)20-11-7-8-19-9-11;/h1-6,11H,7-9H2;/q-1;+1
InChIKeyNJLCLQRIMINEJB-UHFFFAOYSA-N
XLogP0.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-naphthalen-1-yloxyoxane
CID 107137916
4-(oxolan-3-yloxy)naphthalen-1-amine
CID 63690299
potassium trifluoro-(2-methoxynaphthalen-1-yl)boranuide
CID 63677244
N-methyl-1-[2-(oxan-3-yloxy)naphthalen-1-yl]methanamine
CID 107134305
2-[2-(oxan-4-yloxy)naphthalen-1-yl]ethanamine
CID 63936894
trifluoro-(2-propan-2-yloxynaphthalen-1-yl)boranuide
CID 63677449
(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497
4-(oxolan-3-yloxy)quinazolin-2-amine
CID 80876588
3-[2-(oxan-4-yloxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 63937091
2-(oxolan-3-yloxy)benzamide
CID 68643948
2-[2-(oxolan-3-yloxy)phenyl]acetic acid
CID 80741380
[2-methoxy-3-(oxolan-3-yloxy)phenyl]methanol
CID 84689080

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[2-(oxolan-3-yloxy)naphthalen-1-yl]boranuide?
The IUPAC name of potassium trifluoro-[2-(oxolan-3-yloxy)naphthalen-1-yl]boranuide (CID 63677057) is potassium trifluoro-[2-(oxolan-3-yloxy)naphthalen-1-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[2-(oxolan-3-yloxy)naphthalen-1-yl]boranuide?
The canonical SMILES for potassium trifluoro-[2-(oxolan-3-yloxy)naphthalen-1-yl]boranuide is F[B-](F)(F)c1c(OC2CCOC2)ccc2ccccc12.[K+].
What is the InChIKey of potassium trifluoro-[2-(oxolan-3-yloxy)naphthalen-1-yl]boranuide?
The InChIKey is NJLCLQRIMINEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BF3O2.K/c16-15(17,18)14-12-4-2-1-3-10(12)5-6-13(14)20-11-7-8-19-9-11;/h1-6,11H,7-9H2;/q-1;+1.
What are the key properties of potassium trifluoro-[2-(oxolan-3-yloxy)naphthalen-1-yl]boranuide?
potassium trifluoro-[2-(oxolan-3-yloxy)naphthalen-1-yl]boranuide has a molecular weight of 320.16 g/mol, XLogP of 0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[2-(oxolan-3-yloxy)naphthalen-1-yl]boranuide is sourced from PubChem (CID 63677057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).