CID 89353221

C8H9BFO — CID 89353221

IUPAC—
SMILESC[B]c1cc(F)ccc1OC
InChIInChI=1S/C8H9BFO/c1-9-7-5-6(10)3-4-8(7)11-2/h3-5H,1-2H3
InChIKeyLCXBRRGMBXYWOA-UHFFFAOYSA-N
MW150.97 g/mol
LogP1.21
Rot. Bonds2

About CID 89353221

CID 89353221 (PubChem CID 89353221) has the molecular formula C8H9BFO and a molecular weight of 150.97 g/mol.

Molecular Properties

Compound NameCID 89353221
PubChem CID89353221
Molecular FormulaC8H9BFO
Molecular Weight150.97 g/mol
Exact Mass151.07
IUPAC Name—
SMILESC[B]c1cc(F)ccc1OC
InChIInChI=1S/C8H9BFO/c1-9-7-5-6(10)3-4-8(7)11-2/h3-5H,1-2H3
InChIKeyLCXBRRGMBXYWOA-UHFFFAOYSA-N
XLogP1.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.97
LogP ≤ 51.21
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

(5-fluoro-2-methoxyphenyl)methanethiol
CID 24688819
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
CID 71046587
CID 71046587
(5-fluoro-2-methoxyphenyl)borane
CID 3475822
ethane;4-fluoro-1-methoxy-2-methylbenzene
CID 143329013
(5-fluoro-2-methoxyphenyl)phosphane
CID 158974497
(5-fluoro-2-methoxyphenyl)-methylboranuide
CID 137328687
CID 58432607
CID 58432607
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene
CID 131171208
4-fluoro-1-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene
CID 53484257
4-fluoro-1-methoxy-2-propan-2-yloxybenzene
CID 126993061

Frequently Asked Questions

What is the IUPAC name of CID 89353221?
The IUPAC name of CID 89353221 (CID 89353221) is not available.
What is the SMILES notation for CID 89353221?
The canonical SMILES for CID 89353221 is C[B]c1cc(F)ccc1OC.
What is the InChIKey of CID 89353221?
The InChIKey is LCXBRRGMBXYWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BFO/c1-9-7-5-6(10)3-4-8(7)11-2/h3-5H,1-2H3.
What are the key properties of CID 89353221?
CID 89353221 has a molecular weight of 150.97 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89353221 is sourced from PubChem (CID 89353221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).