trifluoro-[4-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]boranuide

C13H11BF4NO- — CID 102881804

IUPACtrifluoro-[4-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]boranuide
SMILESCc1cncc(COc2cc(F)ccc2[B-](F)(F)F)c1
InChIInChI=1S/C13H11BF4NO/c1-9-4-10(7-19-6-9)8-20-13-5-11(15)2-3-12(13)14(16,17)18/h2-7H,8H2,1H3/q-1
InChIKeyFCIWEDMVBGZFFG-UHFFFAOYSA-N
MW284.04 g/mol
LogP3.16
Rot. Bonds4

About trifluoro-[4-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]boranuide

trifluoro-[4-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]boranuide (PubChem CID 102881804) has the molecular formula C13H11BF4NO- and a molecular weight of 284.04 g/mol. Its IUPAC name is trifluoro-[4-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[4-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]boranuide
PubChem CID102881804
Molecular FormulaC13H11BF4NO-
Molecular Weight284.04 g/mol
Exact Mass284.09
IUPAC Nametrifluoro-[4-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]boranuide
SMILESCc1cncc(COc2cc(F)ccc2[B-](F)(F)F)c1
InChIInChI=1S/C13H11BF4NO/c1-9-4-10(7-19-6-9)8-20-13-5-11(15)2-3-12(13)14(16,17)18/h2-7H,8H2,1H3/q-1
InChIKeyFCIWEDMVBGZFFG-UHFFFAOYSA-N
XLogP3.16
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.04
LogP ≤ 53.16
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

N-ethyl-1-[5-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102880480
6-methyl-3-[(5-methyl-3-pyridinyl)methoxy]pyridin-2-amine
CID 102880225
potassium trifluoro-[2-[(3-methylphenyl)methoxy]phenyl]boranuide
CID 63676819
3-[(5-bromo-2-chlorophenoxy)methyl]-5-methylpyridine
CID 102881286
(1R)-1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102881645
3-[(3-fluoro-4-methylphenoxy)methyl]-5-methylpyridine
CID 107171333
potassium trifluoro-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boranuide
CID 63678321
1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
CID 107692930
2-methyl-N-[[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
CID 102880419
(NZ)-N-[1-[2-[(5-bromo-3-pyridinyl)methoxy]-4-fluorophenyl]ethylidene]hydroxylamine
CID 104797850
(1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102949293
3-[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine
CID 102878125

Frequently Asked Questions

What is the IUPAC name of trifluoro-[4-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]boranuide?
The IUPAC name of trifluoro-[4-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]boranuide (CID 102881804) is trifluoro-[4-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]boranuide.
What is the SMILES notation for trifluoro-[4-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]boranuide?
The canonical SMILES for trifluoro-[4-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]boranuide is Cc1cncc(COc2cc(F)ccc2[B-](F)(F)F)c1.
What is the InChIKey of trifluoro-[4-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]boranuide?
The InChIKey is FCIWEDMVBGZFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BF4NO/c1-9-4-10(7-19-6-9)8-20-13-5-11(15)2-3-12(13)14(16,17)18/h2-7H,8H2,1H3/q-1.
What are the key properties of trifluoro-[4-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]boranuide?
trifluoro-[4-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]boranuide has a molecular weight of 284.04 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[4-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]boranuide is sourced from PubChem (CID 102881804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).