CID 175337896

C6H4BFO — CID 175337896

IUPAC—
SMILES[B]Oc1ccccc1F
InChIInChI=1S/C6H4BFO/c7-9-6-4-2-1-3-5(6)8/h1-4H
InChIKeyPGJNPSISMQWRJO-UHFFFAOYSA-N
MW121.91 g/mol
LogP1.29
Rot. Bonds1

About CID 175337896

CID 175337896 (PubChem CID 175337896) has the molecular formula C6H4BFO and a molecular weight of 121.91 g/mol.

Molecular Properties

Compound NameCID 175337896
PubChem CID175337896
Molecular FormulaC6H4BFO
Molecular Weight121.91 g/mol
Exact Mass122.03
IUPAC Name—
SMILES[B]Oc1ccccc1F
InChIInChI=1S/C6H4BFO/c7-9-6-4-2-1-3-5(6)8/h1-4H
InChIKeyPGJNPSISMQWRJO-UHFFFAOYSA-N
XLogP1.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.91
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 175337896 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene
CID 22338502
(2-fluorophenyl) hypoiodite
CID 130349646
magnesium;1-fluoro-2-methoxybenzene;hydride
CID 174440812
(2-fluorophenoxy)boronic acid
CID 22237831
1-fluoro-2-(2-iodophenoxy)benzene
CID 11849671
carbon dioxide;1-fluoro-2-methoxybenzene
CID 159972007
1-[chloro(difluoro)methoxy]-2-fluorobenzene
CID 15681631
ethane;1-fluoro-2-phenoxybenzene
CID 170962676
1-(2-fluorophenoxy)ethanethiol
CID 166973393
1-(2,2-difluoroethoxy)-2-fluorobenzene
CID 64766194
1-fluoro-2-(2-iodoethoxy)benzene
CID 64787952
(2-fluorophenyl) 2-hydroxy-2-methylpropanoate
CID 117051075

Frequently Asked Questions

What is the IUPAC name of CID 175337896?
The IUPAC name of CID 175337896 (CID 175337896) is not available.
What is the SMILES notation for CID 175337896?
The canonical SMILES for CID 175337896 is [B]Oc1ccccc1F.
What is the InChIKey of CID 175337896?
The InChIKey is PGJNPSISMQWRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BFO/c7-9-6-4-2-1-3-5(6)8/h1-4H.
What are the key properties of CID 175337896?
CID 175337896 has a molecular weight of 121.91 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175337896 is sourced from PubChem (CID 175337896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).