diethyl(fluoro)borane;2-(18F)fluoropyridine

C9H14BF2N — CID 163876636

IUPACdiethyl(fluoro)borane;2-(18F)fluoropyridine
SMILESCCB(F)CC.[18F]c1ccccn1
InChIInChI=1S/C5H4FN.C4H10BF/c6-5-3-1-2-4-7-5;1-3-5(6)4-2/h1-4H;3-4H2,1-2H3/i6-1;
InChIKeyPPLTXFBLRCWPST-ZZCPHWBCSA-N
MW184.03 g/mol
LogP3.21
Rot. Bonds2

About diethyl(fluoro)borane;2-(18F)fluoropyridine

diethyl(fluoro)borane;2-(18F)fluoropyridine (PubChem CID 163876636) has the molecular formula C9H14BF2N and a molecular weight of 184.03 g/mol. Its IUPAC name is diethyl(fluoro)borane;2-(18F)fluoropyridine.

Molecular Properties

Compound Namediethyl(fluoro)borane;2-(18F)fluoropyridine
PubChem CID163876636
Molecular FormulaC9H14BF2N
Molecular Weight184.03 g/mol
Exact Mass184.12
IUPAC Namediethyl(fluoro)borane;2-(18F)fluoropyridine
SMILESCCB(F)CC.[18F]c1ccccn1
InChIInChI=1S/C5H4FN.C4H10BF/c6-5-3-1-2-4-7-5;1-3-5(6)4-2/h1-4H;3-4H2,1-2H3/i6-1;
InChIKeyPPLTXFBLRCWPST-ZZCPHWBCSA-N
XLogP3.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.03
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethane;2-fluoropyridine
CID 143559643
ethane;2-fluoropyridine;pyrimidine
CID 144757816
propane;2-pyridin-2-ylpyridine
CID 158168510
butane;2-methylpyridine;propane
CID 171077595
3-fluoro-2-methylpyridine;propane
CID 171848252
2-(1,1-difluoropropyl)pyridine
CID 59088790
2-ethylpyridine;sulfane
CID 67363352
ethane;2-ethylpyridine
CID 91102000
tripropyl(pyridin-2-yl)stannane
CID 607789
ethane;2-ethylpyridine;methane
CID 142439308
2-(2-fluoroethyl)pyridine
CID 23246235
acetylene;2-ethylpyridine
CID 145358493

Frequently Asked Questions

What is the IUPAC name of diethyl(fluoro)borane;2-(18F)fluoropyridine?
The IUPAC name of diethyl(fluoro)borane;2-(18F)fluoropyridine (CID 163876636) is diethyl(fluoro)borane;2-(18F)fluoropyridine.
What is the SMILES notation for diethyl(fluoro)borane;2-(18F)fluoropyridine?
The canonical SMILES for diethyl(fluoro)borane;2-(18F)fluoropyridine is CCB(F)CC.[18F]c1ccccn1.
What is the InChIKey of diethyl(fluoro)borane;2-(18F)fluoropyridine?
The InChIKey is PPLTXFBLRCWPST-ZZCPHWBCSA-N. The full InChI is InChI=1S/C5H4FN.C4H10BF/c6-5-3-1-2-4-7-5;1-3-5(6)4-2/h1-4H;3-4H2,1-2H3/i6-1;.
What are the key properties of diethyl(fluoro)borane;2-(18F)fluoropyridine?
diethyl(fluoro)borane;2-(18F)fluoropyridine has a molecular weight of 184.03 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(fluoro)borane;2-(18F)fluoropyridine is sourced from PubChem (CID 163876636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).