boric acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene

C7H6BF3O3 — CID 174792832

IUPACboric acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene
SMILESFC(F)(F)c1cc2ccc1-2.OB(O)O
InChIInChI=1S/C7H3F3.BH3O3/c8-7(9,10)6-3-4-1-2-5(4)6;2-1(3)4/h1-3H;2-4H
InChIKeyGNFBDKHWAQROJY-UHFFFAOYSA-N
MW205.93 g/mol
LogP0.63
Rot. Bonds

About boric acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene

boric acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene (PubChem CID 174792832) has the molecular formula C7H6BF3O3 and a molecular weight of 205.93 g/mol. Its IUPAC name is boric acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene.

Molecular Properties

Compound Nameboric acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene
PubChem CID174792832
Molecular FormulaC7H6BF3O3
Molecular Weight205.93 g/mol
Exact Mass206.04
IUPAC Nameboric acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene
SMILESFC(F)(F)c1cc2ccc1-2.OB(O)O
InChIInChI=1S/C7H3F3.BH3O3/c8-7(9,10)6-3-4-1-2-5(4)6;2-1(3)4/h1-3H;2-4H
InChIKeyGNFBDKHWAQROJY-UHFFFAOYSA-N
XLogP0.63
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.93
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of boric acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene?
The IUPAC name of boric acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene (CID 174792832) is boric acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene.
What is the SMILES notation for boric acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene?
The canonical SMILES for boric acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene is FC(F)(F)c1cc2ccc1-2.OB(O)O.
What is the InChIKey of boric acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene?
The InChIKey is GNFBDKHWAQROJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3.BH3O3/c8-7(9,10)6-3-4-1-2-5(4)6;2-1(3)4/h1-3H;2-4H.
What are the key properties of boric acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene?
boric acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene has a molecular weight of 205.93 g/mol, XLogP of 0.63, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene is sourced from PubChem (CID 174792832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).