CID 87197273

C19H14BF2O2 — CID 87197273

IUPAC—
SMILESF[B]F.O=C(CC(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C19H14O2.BF2/c20-18(15-7-2-1-3-8-15)13-19(21)17-11-10-14-6-4-5-9-16(14)12-17;2-1-3/h1-12H,13H2;
InChIKeyUMTLGWMXWOQNQN-UHFFFAOYSA-N
MW323.13 g/mol
LogP4.76
Rot. Bonds4

About CID 87197273

CID 87197273 (PubChem CID 87197273) has the molecular formula C19H14BF2O2 and a molecular weight of 323.13 g/mol.

Molecular Properties

Compound NameCID 87197273
PubChem CID87197273
Molecular FormulaC19H14BF2O2
Molecular Weight323.13 g/mol
Exact Mass323.11
IUPAC Name—
SMILESF[B]F.O=C(CC(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C19H14O2.BF2/c20-18(15-7-2-1-3-8-15)13-19(21)17-11-10-14-6-4-5-9-16(14)12-17;2-1-3/h1-12H,13H2;
InChIKeyUMTLGWMXWOQNQN-UHFFFAOYSA-N
XLogP4.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.13
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
dinaphthalen-2-ylmethanone
CID 10945915
CID 175394574
CID 175394574
CID 175394563
CID 175394563
4,4,5,5,6,6,6-heptafluoro-1-naphthalen-2-ylhexane-1,3-dione
CID 86004327
naphthalene-2-carboxylic acid
CID 175967775
[7-(3-oxo-3-phenylpropanoyl)anthracen-1-yl]boronic acid
CID 22945165
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946

Frequently Asked Questions

What is the IUPAC name of CID 87197273?
The IUPAC name of CID 87197273 (CID 87197273) is not available.
What is the SMILES notation for CID 87197273?
The canonical SMILES for CID 87197273 is F[B]F.O=C(CC(=O)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of CID 87197273?
The InChIKey is UMTLGWMXWOQNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O2.BF2/c20-18(15-7-2-1-3-8-15)13-19(21)17-11-10-14-6-4-5-9-16(14)12-17;2-1-3/h1-12H,13H2;.
What are the key properties of CID 87197273?
CID 87197273 has a molecular weight of 323.13 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87197273 is sourced from PubChem (CID 87197273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).