potassium [3-(2-cyclopropylethoxy)-4-fluorophenyl]-trifluoroboranuide

C11H12BF4KO — CID 114675089

IUPACpotassium [3-(2-cyclopropylethoxy)-4-fluorophenyl]-trifluoroboranuide
SMILESFc1ccc([B-](F)(F)F)cc1OCCC1CC1.[K+]
InChIInChI=1S/C11H12BF4O.K/c13-10-4-3-9(12(14,15)16)7-11(10)17-6-5-8-1-2-8;/h3-4,7-8H,1-2,5-6H2;/q-1;+1
InChIKeyCXXBCUJBNWBKDD-UHFFFAOYSA-N
MW286.12 g/mol
LogP0.06
Rot. Bonds5

About potassium [3-(2-cyclopropylethoxy)-4-fluorophenyl]-trifluoroboranuide

potassium [3-(2-cyclopropylethoxy)-4-fluorophenyl]-trifluoroboranuide (PubChem CID 114675089) has the molecular formula C11H12BF4KO and a molecular weight of 286.12 g/mol. Its IUPAC name is potassium [3-(2-cyclopropylethoxy)-4-fluorophenyl]-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [3-(2-cyclopropylethoxy)-4-fluorophenyl]-trifluoroboranuide
PubChem CID114675089
Molecular FormulaC11H12BF4KO
Molecular Weight286.12 g/mol
Exact Mass286.06
IUPAC Namepotassium [3-(2-cyclopropylethoxy)-4-fluorophenyl]-trifluoroboranuide
SMILESFc1ccc([B-](F)(F)F)cc1OCCC1CC1.[K+]
InChIInChI=1S/C11H12BF4O.K/c13-10-4-3-9(12(14,15)16)7-11(10)17-6-5-8-1-2-8;/h3-4,7-8H,1-2,5-6H2;/q-1;+1
InChIKeyCXXBCUJBNWBKDD-UHFFFAOYSA-N
XLogP0.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 50.06
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 [3-(cyclobutylmethoxy)-4-fluorophenyl]-trifluoroboranuide
CID 114674983
potassium trifluoro-[4-fluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]boranuide
CID 114674955
1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]cyclopropan-1-amine
CID 155370327
trifluoro-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]boranuide
CID 114675006
trifluoro-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]boranuide
CID 114674892
potassium trifluoro-[4-fluoro-3-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide
CID 106705337
3-[3-(2-cyclopropylethoxy)-4-fluorophenyl]prop-2-yn-1-amine
CID 114675659
potassium trifluoro-[4-fluoro-3-[(2-fluorophenyl)methoxy]phenyl]boranuide
CID 114675043
4-[2-(2-fluoro-5-methylphenoxy)ethyl]piperidine
CID 64854447
trifluoro-(4-fluoro-3-methoxyphenyl)boranuide
CID 112694622
potassium [3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-fluorophenyl]-trifluoroboranuide
CID 106439057
potassium trifluoro-[4-fluoro-3-[(3-methylphenyl)methoxy]phenyl]boranuide
CID 114675053

Frequently Asked Questions

What is the IUPAC name of potassium [3-(2-cyclopropylethoxy)-4-fluorophenyl]-trifluoroboranuide?
The IUPAC name of potassium [3-(2-cyclopropylethoxy)-4-fluorophenyl]-trifluoroboranuide (CID 114675089) is potassium [3-(2-cyclopropylethoxy)-4-fluorophenyl]-trifluoroboranuide.
What is the SMILES notation for potassium [3-(2-cyclopropylethoxy)-4-fluorophenyl]-trifluoroboranuide?
The canonical SMILES for potassium [3-(2-cyclopropylethoxy)-4-fluorophenyl]-trifluoroboranuide is Fc1ccc([B-](F)(F)F)cc1OCCC1CC1.[K+].
What is the InChIKey of potassium [3-(2-cyclopropylethoxy)-4-fluorophenyl]-trifluoroboranuide?
The InChIKey is CXXBCUJBNWBKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BF4O.K/c13-10-4-3-9(12(14,15)16)7-11(10)17-6-5-8-1-2-8;/h3-4,7-8H,1-2,5-6H2;/q-1;+1.
What are the key properties of potassium [3-(2-cyclopropylethoxy)-4-fluorophenyl]-trifluoroboranuide?
potassium [3-(2-cyclopropylethoxy)-4-fluorophenyl]-trifluoroboranuide has a molecular weight of 286.12 g/mol, XLogP of 0.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [3-(2-cyclopropylethoxy)-4-fluorophenyl]-trifluoroboranuide is sourced from PubChem (CID 114675089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).