CID 88945254

C8H8BFO — CID 88945254

IUPAC—
SMILES[B]c1cccc(COC)c1F
InChIInChI=1S/C8H8BFO/c1-11-5-6-3-2-4-7(9)8(6)10/h2-4H,5H2,1H3
InChIKeyJVKWQFJGWXRXFM-UHFFFAOYSA-N
MW149.96 g/mol
LogP0.77
Rot. Bonds2

About CID 88945254

CID 88945254 (PubChem CID 88945254) has the molecular formula C8H8BFO and a molecular weight of 149.96 g/mol.

Molecular Properties

Compound NameCID 88945254
PubChem CID88945254
Molecular FormulaC8H8BFO
Molecular Weight149.96 g/mol
Exact Mass150.07
IUPAC Name—
SMILES[B]c1cccc(COC)c1F
InChIInChI=1S/C8H8BFO/c1-11-5-6-3-2-4-7(9)8(6)10/h2-4H,5H2,1H3
InChIKeyJVKWQFJGWXRXFM-UHFFFAOYSA-N
XLogP0.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.96
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 123655745
CID 123655745
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine
CID 117279565
1-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117302099
1-[2-fluoro-3-(methoxymethyl)phenyl]ethanol
CID 117279865
1-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine
CID 117287115
2-[2-fluoro-3-(methoxymethyl)phenyl]propan-1-amine
CID 117287255
2-fluoro-1-(isocyanatomethyl)-3-(methoxymethyl)benzene
CID 117284984
2-amino-1-[2-fluoro-3-(methoxymethyl)phenyl]ethanone
CID 117286739
3-[2-fluoro-3-(methoxymethyl)phenyl]butan-1-amine
CID 117302072
2-[2,6-bis(methoxymethyl)phenyl]sulfanyl-1,3-bis(methoxymethyl)benzene
CID 151554514
tris(2,6-bis(methoxymethyl)benzenethiol);trihydrofluoride
CID 173023834

Frequently Asked Questions

What is the IUPAC name of CID 88945254?
The IUPAC name of CID 88945254 (CID 88945254) is not available.
What is the SMILES notation for CID 88945254?
The canonical SMILES for CID 88945254 is [B]c1cccc(COC)c1F.
What is the InChIKey of CID 88945254?
The InChIKey is JVKWQFJGWXRXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BFO/c1-11-5-6-3-2-4-7(9)8(6)10/h2-4H,5H2,1H3.
What are the key properties of CID 88945254?
CID 88945254 has a molecular weight of 149.96 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88945254 is sourced from PubChem (CID 88945254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).