CID 69226515

C7H6BF4O2 — CID 69226515

IUPAC—
SMILESFc1ccccc1C(F)(F)F.O[B]O
InChIInChI=1S/C7H4F4.BH2O2/c8-6-4-2-1-3-5(6)7(9,10)11;2-1-3/h1-4H;2-3H
InChIKeyKYDKOBXXWCMFIH-UHFFFAOYSA-N
MW208.93 g/mol
LogP1.35
Rot. Bonds

About CID 69226515

CID 69226515 (PubChem CID 69226515) has the molecular formula C7H6BF4O2 and a molecular weight of 208.93 g/mol.

Molecular Properties

Compound NameCID 69226515
PubChem CID69226515
Molecular FormulaC7H6BF4O2
Molecular Weight208.93 g/mol
Exact Mass209.04
IUPAC Name—
SMILESFc1ccccc1C(F)(F)F.O[B]O
InChIInChI=1S/C7H4F4.BH2O2/c8-6-4-2-1-3-5(6)7(9,10)11;2-1-3/h1-4H;2-3H
InChIKeyKYDKOBXXWCMFIH-UHFFFAOYSA-N
XLogP1.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.93
LogP ≤ 51.35
H-Bond Donors ≤ 52
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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2-(trifluoromethyl)phenol
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1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 118991852
2,2-difluoro-2-(2-fluorophenyl)acetic acid
CID 62492425
CID 69435849
CID 69435849
4-[difluoro-(2-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline
CID 175020161
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
1,2-difluoro-3-(trifluoromethyl)benzene;sulfuryl dichloride
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ethane;2-(trifluoromethyl)phenol
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Frequently Asked Questions

What is the IUPAC name of CID 69226515?
The IUPAC name of CID 69226515 (CID 69226515) is not available.
What is the SMILES notation for CID 69226515?
The canonical SMILES for CID 69226515 is Fc1ccccc1C(F)(F)F.O[B]O.
What is the InChIKey of CID 69226515?
The InChIKey is KYDKOBXXWCMFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4.BH2O2/c8-6-4-2-1-3-5(6)7(9,10)11;2-1-3/h1-4H;2-3H.
What are the key properties of CID 69226515?
CID 69226515 has a molecular weight of 208.93 g/mol, XLogP of 1.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69226515 is sourced from PubChem (CID 69226515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).