CID 88916359

C9H10BF3O3 — CID 88916359

IUPAC—
SMILES[B][C@@H]1O[C@H](CO)[C@](C)(O)C1(F)C=C=C(F)F
InChIInChI=1S/C9H10BF3O3/c1-8(15)5(4-14)16-7(10)9(8,13)3-2-6(11)12/h3,5,7,14-15H,4H2,1H3/t5-,7-,8+,9?/m1/s1
InChIKeyUJHKBEPWLYOJDF-HJVNBAFISA-N
MW233.98 g/mol
LogP0.27
Rot. Bonds2

About CID 88916359

CID 88916359 (PubChem CID 88916359) has the molecular formula C9H10BF3O3 and a molecular weight of 233.98 g/mol.

Molecular Properties

Compound NameCID 88916359
PubChem CID88916359
Molecular FormulaC9H10BF3O3
Molecular Weight233.98 g/mol
Exact Mass234.07
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CO)[C@](C)(O)C1(F)C=C=C(F)F
InChIInChI=1S/C9H10BF3O3/c1-8(15)5(4-14)16-7(10)9(8,13)3-2-6(11)12/h3,5,7,14-15H,4H2,1H3/t5-,7-,8+,9?/m1/s1
InChIKeyUJHKBEPWLYOJDF-HJVNBAFISA-N
XLogP0.27
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.98
LogP ≤ 50.27
H-Bond Donors ≤ 52
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 CID 88916359?
The IUPAC name of CID 88916359 (CID 88916359) is not available.
What is the SMILES notation for CID 88916359?
The canonical SMILES for CID 88916359 is [B][C@@H]1O[C@H](CO)[C@](C)(O)C1(F)C=C=C(F)F.
What is the InChIKey of CID 88916359?
The InChIKey is UJHKBEPWLYOJDF-HJVNBAFISA-N. The full InChI is InChI=1S/C9H10BF3O3/c1-8(15)5(4-14)16-7(10)9(8,13)3-2-6(11)12/h3,5,7,14-15H,4H2,1H3/t5-,7-,8+,9?/m1/s1.
What are the key properties of CID 88916359?
CID 88916359 has a molecular weight of 233.98 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88916359 is sourced from PubChem (CID 88916359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).