CID 88916351

C8H8BF3O3 — CID 88916351

IUPAC—
SMILES[B][C@@H]1O[C@H](CO)[C@H](O)C1(F)C=C=C(F)F
InChIInChI=1S/C8H8BF3O3/c9-7-8(12,2-1-5(10)11)6(14)4(3-13)15-7/h2,4,6-7,13-14H,3H2/t4-,6+,7-,8?/m1/s1
InChIKeySFQJDJHTEVRSIT-RQFJETTJSA-N
MW219.95 g/mol
LogP-0.12
Rot. Bonds2

About CID 88916351

CID 88916351 (PubChem CID 88916351) has the molecular formula C8H8BF3O3 and a molecular weight of 219.95 g/mol.

Molecular Properties

Compound NameCID 88916351
PubChem CID88916351
Molecular FormulaC8H8BF3O3
Molecular Weight219.95 g/mol
Exact Mass220.05
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CO)[C@H](O)C1(F)C=C=C(F)F
InChIInChI=1S/C8H8BF3O3/c9-7-8(12,2-1-5(10)11)6(14)4(3-13)15-7/h2,4,6-7,13-14H,3H2/t4-,6+,7-,8?/m1/s1
InChIKeySFQJDJHTEVRSIT-RQFJETTJSA-N
XLogP-0.12
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.95
LogP ≤ 5-0.12
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 88916351?
The IUPAC name of CID 88916351 (CID 88916351) is not available.
What is the SMILES notation for CID 88916351?
The canonical SMILES for CID 88916351 is [B][C@@H]1O[C@H](CO)[C@H](O)C1(F)C=C=C(F)F.
What is the InChIKey of CID 88916351?
The InChIKey is SFQJDJHTEVRSIT-RQFJETTJSA-N. The full InChI is InChI=1S/C8H8BF3O3/c9-7-8(12,2-1-5(10)11)6(14)4(3-13)15-7/h2,4,6-7,13-14H,3H2/t4-,6+,7-,8?/m1/s1.
What are the key properties of CID 88916351?
CID 88916351 has a molecular weight of 219.95 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88916351 is sourced from PubChem (CID 88916351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).