(2E)-2-(1-difluoroboranyl-4-phenyl-2-pyridinylidene)-1-phenylethanone

C19H14BF2NO — CID 177473670

IUPAC(2E)-2-(1-difluoroboranyl-4-phenyl-2-pyridinylidene)-1-phenylethanone
SMILESO=C(/C=C1\C=C(c2ccccc2)C=CN1B(F)F)c1ccccc1
InChIInChI=1S/C19H14BF2NO/c21-20(22)23-12-11-17(15-7-3-1-4-8-15)13-18(23)14-19(24)16-9-5-2-6-10-16/h1-14H/b18-14+
InChIKeyKCUASILCJXACNB-NBVRZTHBSA-N
MW321.14 g/mol
LogP4.59
Rot. Bonds4

About (2E)-2-(1-difluoroboranyl-4-phenyl-2-pyridinylidene)-1-phenylethanone

(2E)-2-(1-difluoroboranyl-4-phenyl-2-pyridinylidene)-1-phenylethanone (PubChem CID 177473670) has the molecular formula C19H14BF2NO and a molecular weight of 321.14 g/mol. Its IUPAC name is (2E)-2-(1-difluoroboranyl-4-phenyl-2-pyridinylidene)-1-phenylethanone.

Molecular Properties

Compound Name(2E)-2-(1-difluoroboranyl-4-phenyl-2-pyridinylidene)-1-phenylethanone
PubChem CID177473670
Molecular FormulaC19H14BF2NO
Molecular Weight321.14 g/mol
Exact Mass321.11
IUPAC Name(2E)-2-(1-difluoroboranyl-4-phenyl-2-pyridinylidene)-1-phenylethanone
SMILESO=C(/C=C1\C=C(c2ccccc2)C=CN1B(F)F)c1ccccc1
InChIInChI=1S/C19H14BF2NO/c21-20(22)23-12-11-17(15-7-3-1-4-8-15)13-18(23)14-19(24)16-9-5-2-6-10-16/h1-14H/b18-14+
InChIKeyKCUASILCJXACNB-NBVRZTHBSA-N
XLogP4.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.14
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-(1-benzyl-2-pyridinylidene)-1-phenylethanone
CID 135051409
2-(3,5-dimethyl-2,6-diphenylpyran-4-ylidene)-1-phenylethanone
CID 14529383
2-(10-methylacridin-9-ylidene)-1-phenylethanone
CID 3797236
2-(1-methyl-3,4-dihydroquinolin-2-ylidene)-1-phenylethanone
CID 154269725
3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 4672651
2-(4,5-dimethyldithiol-3-ylidene)-1-phenylethanone
CID 619119
phenyl-(4-phenylphenyl)methanone
CID 155775877
phenacylidenetungsten
CID 139264471
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
4-[(Z)-1-difluoroboranyloxy-3-oxo-3-phenylprop-1-enyl]benzoic acid
CID 122212702
(2Z)-1-phenyl-2-(5-phenyl-1,3-oxathiol-2-ylidene)ethanone
CID 101441651
2-methylidene-4-(1-methylpyridin-1-ium-4-yl)-1-[(E)-2-phenylprop-1-enyl]pyridine
CID 164545240

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1-difluoroboranyl-4-phenyl-2-pyridinylidene)-1-phenylethanone?
The IUPAC name of (2E)-2-(1-difluoroboranyl-4-phenyl-2-pyridinylidene)-1-phenylethanone (CID 177473670) is (2E)-2-(1-difluoroboranyl-4-phenyl-2-pyridinylidene)-1-phenylethanone.
What is the SMILES notation for (2E)-2-(1-difluoroboranyl-4-phenyl-2-pyridinylidene)-1-phenylethanone?
The canonical SMILES for (2E)-2-(1-difluoroboranyl-4-phenyl-2-pyridinylidene)-1-phenylethanone is O=C(/C=C1\C=C(c2ccccc2)C=CN1B(F)F)c1ccccc1.
What is the InChIKey of (2E)-2-(1-difluoroboranyl-4-phenyl-2-pyridinylidene)-1-phenylethanone?
The InChIKey is KCUASILCJXACNB-NBVRZTHBSA-N. The full InChI is InChI=1S/C19H14BF2NO/c21-20(22)23-12-11-17(15-7-3-1-4-8-15)13-18(23)14-19(24)16-9-5-2-6-10-16/h1-14H/b18-14+.
What are the key properties of (2E)-2-(1-difluoroboranyl-4-phenyl-2-pyridinylidene)-1-phenylethanone?
(2E)-2-(1-difluoroboranyl-4-phenyl-2-pyridinylidene)-1-phenylethanone has a molecular weight of 321.14 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1-difluoroboranyl-4-phenyl-2-pyridinylidene)-1-phenylethanone is sourced from PubChem (CID 177473670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).