potassium trifluoro-[4-fluoro-3-(2-pyridin-2-ylethoxy)phenyl]boranuide

C13H11BF4KNO — CID 114674917

IUPACpotassium trifluoro-[4-fluoro-3-(2-pyridin-2-ylethoxy)phenyl]boranuide
SMILESFc1ccc([B-](F)(F)F)cc1OCCc1ccccn1.[K+]
InChIInChI=1S/C13H11BF4NO.K/c15-12-5-4-10(14(16,17)18)9-13(12)20-8-6-11-3-1-2-7-19-11;/h1-5,7,9H,6,8H2;/q-1;+1
InChIKeyFRNJUHFRJWYWOI-UHFFFAOYSA-N
MW323.14 g/mol
LogP-0.10
Rot. Bonds5

About potassium trifluoro-[4-fluoro-3-(2-pyridin-2-ylethoxy)phenyl]boranuide

potassium trifluoro-[4-fluoro-3-(2-pyridin-2-ylethoxy)phenyl]boranuide (PubChem CID 114674917) has the molecular formula C13H11BF4KNO and a molecular weight of 323.14 g/mol. Its IUPAC name is potassium trifluoro-[4-fluoro-3-(2-pyridin-2-ylethoxy)phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[4-fluoro-3-(2-pyridin-2-ylethoxy)phenyl]boranuide
PubChem CID114674917
Molecular FormulaC13H11BF4KNO
Molecular Weight323.14 g/mol
Exact Mass323.05
IUPAC Namepotassium trifluoro-[4-fluoro-3-(2-pyridin-2-ylethoxy)phenyl]boranuide
SMILESFc1ccc([B-](F)(F)F)cc1OCCc1ccccn1.[K+]
InChIInChI=1S/C13H11BF4NO.K/c15-12-5-4-10(14(16,17)18)9-13(12)20-8-6-11-3-1-2-7-19-11;/h1-5,7,9H,6,8H2;/q-1;+1
InChIKeyFRNJUHFRJWYWOI-UHFFFAOYSA-N
XLogP-0.10
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 5-0.10
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

2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
potassium trifluoro-[4-fluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]boranuide
CID 114674955
trifluoro-[2-fluoro-4-(2-pyridin-2-ylethoxy)phenyl]boranuide
CID 65203015
potassium trifluoro-[4-fluoro-3-[(2-fluorophenyl)methoxy]phenyl]boranuide
CID 114675043
potassium [3-(2-cyclopropylethoxy)-4-fluorophenyl]-trifluoroboranuide
CID 114675089
3-fluoro-4-(2-pyridin-2-ylethoxy)benzoic acid
CID 29006324
1-[2-fluoro-6-(2-pyridin-2-ylethoxy)phenyl]ethanone
CID 29006281
5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82909517
5-chloro-2-(2-pyridin-2-ylethoxy)benzenesulfonamide
CID 82914800
3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82912390
3-(difluoromethyl)-4-(2-pyridin-2-ylethoxy)aniline
CID 63734475
5-methyl-2-(2-pyridin-2-ylethoxy)aniline
CID 22046369

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[4-fluoro-3-(2-pyridin-2-ylethoxy)phenyl]boranuide?
The IUPAC name of potassium trifluoro-[4-fluoro-3-(2-pyridin-2-ylethoxy)phenyl]boranuide (CID 114674917) is potassium trifluoro-[4-fluoro-3-(2-pyridin-2-ylethoxy)phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[4-fluoro-3-(2-pyridin-2-ylethoxy)phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[4-fluoro-3-(2-pyridin-2-ylethoxy)phenyl]boranuide is Fc1ccc([B-](F)(F)F)cc1OCCc1ccccn1.[K+].
What is the InChIKey of potassium trifluoro-[4-fluoro-3-(2-pyridin-2-ylethoxy)phenyl]boranuide?
The InChIKey is FRNJUHFRJWYWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BF4NO.K/c15-12-5-4-10(14(16,17)18)9-13(12)20-8-6-11-3-1-2-7-19-11;/h1-5,7,9H,6,8H2;/q-1;+1.
What are the key properties of potassium trifluoro-[4-fluoro-3-(2-pyridin-2-ylethoxy)phenyl]boranuide?
potassium trifluoro-[4-fluoro-3-(2-pyridin-2-ylethoxy)phenyl]boranuide has a molecular weight of 323.14 g/mol, XLogP of -0.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[4-fluoro-3-(2-pyridin-2-ylethoxy)phenyl]boranuide is sourced from PubChem (CID 114674917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).