CID 88916356

C8H8BF3O4 — CID 88916356

IUPAC—
SMILES[B][C@]1(F)O[C@H](CO)[C@H](O)C1(O)C=C=C(F)F
InChIInChI=1S/C8H8BF3O4/c9-8(12)7(15,2-1-5(10)11)6(14)4(3-13)16-8/h2,4,6,13-15H,3H2/t4-,6+,7?,8-/m1/s1
InChIKeyFVDWYRAHFOAUSA-JDNPWWSISA-N
MW235.95 g/mol
LogP-0.80
Rot. Bonds2

About CID 88916356

CID 88916356 (PubChem CID 88916356) has the molecular formula C8H8BF3O4 and a molecular weight of 235.95 g/mol.

Molecular Properties

Compound NameCID 88916356
PubChem CID88916356
Molecular FormulaC8H8BF3O4
Molecular Weight235.95 g/mol
Exact Mass236.05
IUPAC Name—
SMILES[B][C@]1(F)O[C@H](CO)[C@H](O)C1(O)C=C=C(F)F
InChIInChI=1S/C8H8BF3O4/c9-8(12)7(15,2-1-5(10)11)6(14)4(3-13)16-8/h2,4,6,13-15H,3H2/t4-,6+,7?,8-/m1/s1
InChIKeyFVDWYRAHFOAUSA-JDNPWWSISA-N
XLogP-0.80
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.95
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 CID 88916356?
The IUPAC name of CID 88916356 (CID 88916356) is not available.
What is the SMILES notation for CID 88916356?
The canonical SMILES for CID 88916356 is [B][C@]1(F)O[C@H](CO)[C@H](O)C1(O)C=C=C(F)F.
What is the InChIKey of CID 88916356?
The InChIKey is FVDWYRAHFOAUSA-JDNPWWSISA-N. The full InChI is InChI=1S/C8H8BF3O4/c9-8(12)7(15,2-1-5(10)11)6(14)4(3-13)16-8/h2,4,6,13-15H,3H2/t4-,6+,7?,8-/m1/s1.
What are the key properties of CID 88916356?
CID 88916356 has a molecular weight of 235.95 g/mol, XLogP of -0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88916356 is sourced from PubChem (CID 88916356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).