CID 164882761

C10H8BFO2 — CID 164882761

IUPAC—
SMILES[B]c1cc(C=C)c(C(=O)OC)cc1F
InChIInChI=1S/C10H8BFO2/c1-3-6-4-8(11)9(12)5-7(6)10(13)14-2/h3-5H,1H2,2H3
InChIKeyWQXPMKNFNWBURW-UHFFFAOYSA-N
MW189.98 g/mol
LogP1.05
Rot. Bonds2

About CID 164882761

CID 164882761 (PubChem CID 164882761) has the molecular formula C10H8BFO2 and a molecular weight of 189.98 g/mol.

Molecular Properties

Compound NameCID 164882761
PubChem CID164882761
Molecular FormulaC10H8BFO2
Molecular Weight189.98 g/mol
Exact Mass190.06
IUPAC Name—
SMILES[B]c1cc(C=C)c(C(=O)OC)cc1F
InChIInChI=1S/C10H8BFO2/c1-3-6-4-8(11)9(12)5-7(6)10(13)14-2/h3-5H,1H2,2H3
InChIKeyWQXPMKNFNWBURW-UHFFFAOYSA-N
XLogP1.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.98
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-ethenyl-4-phenoxybenzoate
CID 154641334
methyl 2-fluoro-4-formyl-5-methylbenzoate
CID 90317126
methyl 2-ethenyl-5-ethoxybenzoate
CID 45094065
1-(4-ethenyl-2,5-difluorophenyl)ethanone
CID 142110375
methyl 2,4-diamino-5-fluorobenzoate
CID 171030778
methyl 2-ethenylbenzoate;prop-2-enoic acid
CID 175189023
methyl 4-bromo-2,3,5-trifluorobenzoate
CID 122620788
methyl 4-fluoro-2-formyl-5-nitrobenzoate
CID 171010714
methyl 4-ethenyl-2-fluoro-6-methylbenzoate
CID 155482448
methyl 2-fluoro-5-(2-oxoethyl)benzoate
CID 57443298
methyl 4-chloro-5-fluoro-2-hydroxybenzoate
CID 131313356
methyl 4-bromo-5-fluoro-2-hydroxybenzoate
CID 66887268

Frequently Asked Questions

What is the IUPAC name of CID 164882761?
The IUPAC name of CID 164882761 (CID 164882761) is not available.
What is the SMILES notation for CID 164882761?
The canonical SMILES for CID 164882761 is [B]c1cc(C=C)c(C(=O)OC)cc1F.
What is the InChIKey of CID 164882761?
The InChIKey is WQXPMKNFNWBURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BFO2/c1-3-6-4-8(11)9(12)5-7(6)10(13)14-2/h3-5H,1H2,2H3.
What are the key properties of CID 164882761?
CID 164882761 has a molecular weight of 189.98 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164882761 is sourced from PubChem (CID 164882761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).