CID 142516848

C8H3B3F4O2 — CID 142516848

IUPAC—
SMILES[B]C([B])([B])c1c(O)ccc(OC(F)(F)F)c1F
InChIInChI=1S/C8H3B3F4O2/c9-7(10,11)5-3(16)1-2-4(6(5)12)17-8(13,14)15/h1-2,16H
InChIKeyKATYZOXRPFNXQQ-UHFFFAOYSA-N
MW239.54 g/mol
LogP1.05
Rot. Bonds2

About CID 142516848

CID 142516848 (PubChem CID 142516848) has the molecular formula C8H3B3F4O2 and a molecular weight of 239.54 g/mol.

Molecular Properties

Compound NameCID 142516848
PubChem CID142516848
Molecular FormulaC8H3B3F4O2
Molecular Weight239.54 g/mol
Exact Mass240.03
IUPAC Name—
SMILES[B]C([B])([B])c1c(O)ccc(OC(F)(F)F)c1F
InChIInChI=1S/C8H3B3F4O2/c9-7(10,11)5-3(16)1-2-4(6(5)12)17-8(13,14)15/h1-2,16H
InChIKeyKATYZOXRPFNXQQ-UHFFFAOYSA-N
XLogP1.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.54
LogP ≤ 51.05
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

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CID 22595244
2,6-difluoro-3-(trifluoromethoxy)benzenethiol
CID 152502818
2-fluoro-3-(trifluoromethoxy)benzoyl fluoride
CID 88701433
2-fluoro-3-(trifluoromethyl)benzene-1,4-diol
CID 143639383
4-chloro-2-(trifluoromethoxy)phenol
CID 58046341
4-iodo-2-(trifluoromethoxy)phenol
CID 151053566
6-chloro-2-fluoro-3-(trifluoromethoxy)benzoic acid
CID 10171499
2-fluoro-6-(trifluoromethoxy)phenol
CID 68960936
2-fluoro-3-(trifluoromethoxy)aniline
CID 25210503
2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene
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Frequently Asked Questions

What is the IUPAC name of CID 142516848?
The IUPAC name of CID 142516848 (CID 142516848) is not available.
What is the SMILES notation for CID 142516848?
The canonical SMILES for CID 142516848 is [B]C([B])([B])c1c(O)ccc(OC(F)(F)F)c1F.
What is the InChIKey of CID 142516848?
The InChIKey is KATYZOXRPFNXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3B3F4O2/c9-7(10,11)5-3(16)1-2-4(6(5)12)17-8(13,14)15/h1-2,16H.
What are the key properties of CID 142516848?
CID 142516848 has a molecular weight of 239.54 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142516848 is sourced from PubChem (CID 142516848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).