CID 89046484

C7H7BFNO — CID 89046484

IUPAC—
SMILES[B]c1cc(F)cc(OC)c1N
InChIInChI=1S/C7H7BFNO/c1-11-6-3-4(9)2-5(8)7(6)10/h2-3H,10H2,1H3
InChIKeyLOQIHIBQEYMUPS-UHFFFAOYSA-N
MW150.95 g/mol
LogP0.21
Rot. Bonds1

About CID 89046484

CID 89046484 (PubChem CID 89046484) has the molecular formula C7H7BFNO and a molecular weight of 150.95 g/mol.

Molecular Properties

Compound NameCID 89046484
PubChem CID89046484
Molecular FormulaC7H7BFNO
Molecular Weight150.95 g/mol
Exact Mass151.06
IUPAC Name—
SMILES[B]c1cc(F)cc(OC)c1N
InChIInChI=1S/C7H7BFNO/c1-11-6-3-4(9)2-5(8)7(6)10/h2-3H,10H2,1H3
InChIKeyLOQIHIBQEYMUPS-UHFFFAOYSA-N
XLogP0.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.95
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-6-(2-methoxyphenoxy)aniline
CID 115507261
4-amino-3-fluoro-5-methoxybenzenethiol
CID 91874654
4-chloro-2,3-difluoro-6-methoxyaniline
CID 170781389
5-fluoro-3-methoxy-1-N-(1-methyltetrazol-5-yl)benzene-1,2-diamine
CID 135230277
1-(2,5-difluoro-3-methoxyphenyl)ethanone
CID 84660399
7-fluoro-5-methoxyquinazolin-4-amine
CID 130019322
5-fluoro-2-iodo-1-methoxy-3-methylbenzene
CID 170171425
1-(4-fluoro-2,6-dimethoxyphenyl)ethanone
CID 117287701
3,4,6-trimethoxybenzene-1,2-diamine
CID 14975826
CID 87277234
CID 87277234
3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84776163
2-bromo-4-fluoro-6-methoxyphenol
CID 58419882

Frequently Asked Questions

What is the IUPAC name of CID 89046484?
The IUPAC name of CID 89046484 (CID 89046484) is not available.
What is the SMILES notation for CID 89046484?
The canonical SMILES for CID 89046484 is [B]c1cc(F)cc(OC)c1N.
What is the InChIKey of CID 89046484?
The InChIKey is LOQIHIBQEYMUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BFNO/c1-11-6-3-4(9)2-5(8)7(6)10/h2-3H,10H2,1H3.
What are the key properties of CID 89046484?
CID 89046484 has a molecular weight of 150.95 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89046484 is sourced from PubChem (CID 89046484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).