trifluoro-(4-fluoro-3-pyridinyl)boranuide

C5H3BF4N- — CID 133056871

IUPACtrifluoro-(4-fluoro-3-pyridinyl)boranuide
SMILESFc1ccncc1[B-](F)(F)F
InChIInChI=1S/C5H3BF4N/c7-5-1-2-11-3-4(5)6(8,9)10/h1-3H/q-1
InChIKeyQRVYCBZMKYOWTK-UHFFFAOYSA-N
MW163.89 g/mol
LogP1.28
Rot. Bonds1

About trifluoro-(4-fluoro-3-pyridinyl)boranuide

trifluoro-(4-fluoro-3-pyridinyl)boranuide (PubChem CID 133056871) has the molecular formula C5H3BF4N- and a molecular weight of 163.89 g/mol. Its IUPAC name is trifluoro-(4-fluoro-3-pyridinyl)boranuide.

Molecular Properties

Compound Nametrifluoro-(4-fluoro-3-pyridinyl)boranuide
PubChem CID133056871
Molecular FormulaC5H3BF4N-
Molecular Weight163.89 g/mol
Exact Mass164.03
IUPAC Nametrifluoro-(4-fluoro-3-pyridinyl)boranuide
SMILESFc1ccncc1[B-](F)(F)F
InChIInChI=1S/C5H3BF4N/c7-5-1-2-11-3-4(5)6(8,9)10/h1-3H/q-1
InChIKeyQRVYCBZMKYOWTK-UHFFFAOYSA-N
XLogP1.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.89
LogP ≤ 51.28
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 trifluoro-[4-(trifluoromethyl)-3-pyridinyl]boranuide
CID 102707180
trifluoro-(4-formyl-3-pyridinyl)boranuide
CID 57416948
4-fluoropyridine-3-carboxylic acid
CID 2762936
4-fluoropyridin-3-ol;hydrochloride
CID 86717938
3-bromo-4-fluoropyridine;ethane
CID 144770242
(3-fluoro-4-pyridinyl)stannane
CID 87473673
methyl 4-fluoropyridine-3-carboxylate
CID 46311150
3-fluoro-4-[2-(3-fluoro-4-pyridinyl)ethynyl]pyridine
CID 177485987
trifluoro-(2-fluoro-5-methylphenyl)boranuide
CID 10420845
3-fluoro-4-(fluoromethyl)pyridine
CID 105427398
N,N-diethyl-3-fluoropyridin-4-amine
CID 91326700
3-fluoro-N-hydroxypyridine-4-carboximidoyl chloride
CID 137193825

Frequently Asked Questions

What is the IUPAC name of trifluoro-(4-fluoro-3-pyridinyl)boranuide?
The IUPAC name of trifluoro-(4-fluoro-3-pyridinyl)boranuide (CID 133056871) is trifluoro-(4-fluoro-3-pyridinyl)boranuide.
What is the SMILES notation for trifluoro-(4-fluoro-3-pyridinyl)boranuide?
The canonical SMILES for trifluoro-(4-fluoro-3-pyridinyl)boranuide is Fc1ccncc1[B-](F)(F)F.
What is the InChIKey of trifluoro-(4-fluoro-3-pyridinyl)boranuide?
The InChIKey is QRVYCBZMKYOWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BF4N/c7-5-1-2-11-3-4(5)6(8,9)10/h1-3H/q-1.
What are the key properties of trifluoro-(4-fluoro-3-pyridinyl)boranuide?
trifluoro-(4-fluoro-3-pyridinyl)boranuide has a molecular weight of 163.89 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(4-fluoro-3-pyridinyl)boranuide is sourced from PubChem (CID 133056871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).