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

C13H11BF4NO- — CID 65203015

IUPACtrifluoro-[2-fluoro-4-(2-pyridin-2-ylethoxy)phenyl]boranuide
SMILESFc1cc(OCCc2ccccn2)ccc1[B-](F)(F)F
InChIInChI=1S/C13H11BF4NO/c15-13-9-11(4-5-12(13)14(16,17)18)20-8-6-10-3-1-2-7-19-10/h1-5,7,9H,6,8H2/q-1
InChIKeyWALPMIDPDHLEFG-UHFFFAOYSA-N
MW284.04 g/mol
LogP2.90
Rot. Bonds5

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

trifluoro-[2-fluoro-4-(2-pyridin-2-ylethoxy)phenyl]boranuide (PubChem CID 65203015) has the molecular formula C13H11BF4NO- and a molecular weight of 284.04 g/mol. Its IUPAC name is trifluoro-[2-fluoro-4-(2-pyridin-2-ylethoxy)phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[2-fluoro-4-(2-pyridin-2-ylethoxy)phenyl]boranuide
PubChem CID65203015
Molecular FormulaC13H11BF4NO-
Molecular Weight284.04 g/mol
Exact Mass284.09
IUPAC Nametrifluoro-[2-fluoro-4-(2-pyridin-2-ylethoxy)phenyl]boranuide
SMILESFc1cc(OCCc2ccccn2)ccc1[B-](F)(F)F
InChIInChI=1S/C13H11BF4NO/c15-13-9-11(4-5-12(13)14(16,17)18)20-8-6-10-3-1-2-7-19-10/h1-5,7,9H,6,8H2/q-1
InChIKeyWALPMIDPDHLEFG-UHFFFAOYSA-N
XLogP2.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.04
LogP ≤ 52.90
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

(1R)-1-[2-fluoro-4-(2-pyridin-2-ylethoxy)phenyl]ethanol
CID 107720301
trifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide
CID 65202575
potassium trifluoro-[4-fluoro-3-(2-pyridin-2-ylethoxy)phenyl]boranuide
CID 114674917
4-(2-pyridin-2-ylethoxy)phenol
CID 60892821
2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid
CID 60988228
2-[2-[3-(chloromethyl)phenoxy]ethyl]pyridine
CID 60892629
2-methoxy-4-(2-pyridin-2-ylethoxy)aniline
CID 63678212
3-fluoro-5-(2-pyridin-2-ylethoxy)benzonitrile
CID 102817924
(1R)-1-[3-(2-pyridin-2-ylethoxy)phenyl]ethanol
CID 78934011
1-[2-(3,4-difluorophenoxy)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111835802
3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82912390

Frequently Asked Questions

What is the IUPAC name of trifluoro-[2-fluoro-4-(2-pyridin-2-ylethoxy)phenyl]boranuide?
The IUPAC name of trifluoro-[2-fluoro-4-(2-pyridin-2-ylethoxy)phenyl]boranuide (CID 65203015) is trifluoro-[2-fluoro-4-(2-pyridin-2-ylethoxy)phenyl]boranuide.
What is the SMILES notation for trifluoro-[2-fluoro-4-(2-pyridin-2-ylethoxy)phenyl]boranuide?
The canonical SMILES for trifluoro-[2-fluoro-4-(2-pyridin-2-ylethoxy)phenyl]boranuide is Fc1cc(OCCc2ccccn2)ccc1[B-](F)(F)F.
What is the InChIKey of trifluoro-[2-fluoro-4-(2-pyridin-2-ylethoxy)phenyl]boranuide?
The InChIKey is WALPMIDPDHLEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BF4NO/c15-13-9-11(4-5-12(13)14(16,17)18)20-8-6-10-3-1-2-7-19-10/h1-5,7,9H,6,8H2/q-1.
What are the key properties of trifluoro-[2-fluoro-4-(2-pyridin-2-ylethoxy)phenyl]boranuide?
trifluoro-[2-fluoro-4-(2-pyridin-2-ylethoxy)phenyl]boranuide has a molecular weight of 284.04 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[2-fluoro-4-(2-pyridin-2-ylethoxy)phenyl]boranuide is sourced from PubChem (CID 65203015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).