CID 145203417

C8H7BFO — CID 145203417

IUPAC—
SMILESO[B]/C=C/c1ccc(F)cc1
InChIInChI=1S/C8H7BFO/c10-8-3-1-7(2-4-8)5-6-9-11/h1-6,11H/b6-5+
InChIKeyNACPMORTRCWJBJ-AATRIKPKSA-N
MW148.95 g/mol
LogP1.41
Rot. Bonds2

About CID 145203417

CID 145203417 (PubChem CID 145203417) has the molecular formula C8H7BFO and a molecular weight of 148.95 g/mol.

Molecular Properties

Compound NameCID 145203417
PubChem CID145203417
Molecular FormulaC8H7BFO
Molecular Weight148.95 g/mol
Exact Mass149.06
IUPAC Name—
SMILESO[B]/C=C/c1ccc(F)cc1
InChIInChI=1S/C8H7BFO/c10-8-3-1-7(2-4-8)5-6-9-11/h1-6,11H/b6-5+
InChIKeyNACPMORTRCWJBJ-AATRIKPKSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.95
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-(3,5-Difluorophenyl)ethenyl](hydroxy)boranyl
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[(E)-3-(4-fluorophenyl)prop-2-enoyl] (E)-3-(4-fluorophenyl)prop-2-enoate
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(1E,4Z,6E)-1,7-bis(4-fluorophenyl)-5-hydroxyhepta-1,4,6-trien-3-one
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1-fluoro-4-[4-[(E)-2-fluoroethenyl]phenyl]benzene
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1-fluoro-4-[(Z)-2-methoxyethenyl]benzene
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1-fluoro-4-[(1E)-3-[(2-methylpropan-2-yl)oxy]buta-1,3-dienyl]benzene
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3-[(E)-2-(4-fluorophenyl)ethenyl]phenol
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Frequently Asked Questions

What is the IUPAC name of CID 145203417?
The IUPAC name of CID 145203417 (CID 145203417) is not available.
What is the SMILES notation for CID 145203417?
The canonical SMILES for CID 145203417 is O[B]/C=C/c1ccc(F)cc1.
What is the InChIKey of CID 145203417?
The InChIKey is NACPMORTRCWJBJ-AATRIKPKSA-N. The full InChI is InChI=1S/C8H7BFO/c10-8-3-1-7(2-4-8)5-6-9-11/h1-6,11H/b6-5+.
What are the key properties of CID 145203417?
CID 145203417 has a molecular weight of 148.95 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145203417 is sourced from PubChem (CID 145203417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).