CID 89044930

C15H12BF2NO2 — CID 89044930

IUPAC—
SMILES[B]Cc1ccc(NC(=O)OCc2ccccc2)c(F)c1F
InChIInChI=1S/C15H12BF2NO2/c16-8-11-6-7-12(14(18)13(11)17)19-15(20)21-9-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,20)
InChIKeyQLUXTQBGMRFZJP-UHFFFAOYSA-N
MW287.07 g/mol
LogP3.38
Rot. Bonds4

About CID 89044930

CID 89044930 (PubChem CID 89044930) has the molecular formula C15H12BF2NO2 and a molecular weight of 287.07 g/mol.

Molecular Properties

Compound NameCID 89044930
PubChem CID89044930
Molecular FormulaC15H12BF2NO2
Molecular Weight287.07 g/mol
Exact Mass287.09
IUPAC Name—
SMILES[B]Cc1ccc(NC(=O)OCc2ccccc2)c(F)c1F
InChIInChI=1S/C15H12BF2NO2/c16-8-11-6-7-12(14(18)13(11)17)19-15(20)21-9-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,20)
InChIKeyQLUXTQBGMRFZJP-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.07
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate
CID 125116618
benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate
CID 139616374
benzyl N-(2-ethyl-5-methylphenyl)carbamate
CID 174585145
[4-fluoro-2-(phenylmethoxycarbonylamino)phenyl]boronic acid
CID 139269826
[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]boronic acid
CID 44717603
benzyl N-(5-fluoro-2-formylphenyl)carbamate
CID 123244128
benzyl N-(2-bromophenyl)carbamate
CID 4935706
benzyl N-(2-iodophenyl)carbamate
CID 10959121
4-fluoro-3-(phenylmethoxycarbonylamino)benzoic acid
CID 60827338
2-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]acetic acid
CID 125458336
benzyl N-(5-bromo-2-fluorophenyl)carbamate
CID 58686891
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569

Frequently Asked Questions

What is the IUPAC name of CID 89044930?
The IUPAC name of CID 89044930 (CID 89044930) is not available.
What is the SMILES notation for CID 89044930?
The canonical SMILES for CID 89044930 is [B]Cc1ccc(NC(=O)OCc2ccccc2)c(F)c1F.
What is the InChIKey of CID 89044930?
The InChIKey is QLUXTQBGMRFZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BF2NO2/c16-8-11-6-7-12(14(18)13(11)17)19-15(20)21-9-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,20).
What are the key properties of CID 89044930?
CID 89044930 has a molecular weight of 287.07 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89044930 is sourced from PubChem (CID 89044930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).