CID 88930701

C8H10BFO3 — CID 88930701

IUPAC—
SMILES[B][C@@H]1O[C@H](CO)C(O)C1(F)C=C=C
InChIInChI=1S/C8H10BFO3/c1-2-3-8(10)6(12)5(4-11)13-7(8)9/h3,5-7,11-12H,1,4H2/t5-,6?,7-,8?/m1/s1
InChIKeyXETWAWIPIBUTOG-RYVOCIFZSA-N
MW183.97 g/mol
LogP-0.72
Rot. Bonds2

About CID 88930701

CID 88930701 (PubChem CID 88930701) has the molecular formula C8H10BFO3 and a molecular weight of 183.97 g/mol.

Molecular Properties

Compound NameCID 88930701
PubChem CID88930701
Molecular FormulaC8H10BFO3
Molecular Weight183.97 g/mol
Exact Mass184.07
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CO)C(O)C1(F)C=C=C
InChIInChI=1S/C8H10BFO3/c1-2-3-8(10)6(12)5(4-11)13-7(8)9/h3,5-7,11-12H,1,4H2/t5-,6?,7-,8?/m1/s1
InChIKeyXETWAWIPIBUTOG-RYVOCIFZSA-N
XLogP-0.72
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.97
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Ethenyl-4-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol
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CID 88916335
CID 88916336
CID 88916336
CID 88916340
CID 88916340
CID 88916341
CID 88916341
CID 88916342
CID 88916342
CID 88916343
CID 88916343
CID 88916348
CID 88916348
CID 88916351
CID 88916351
CID 88916356
CID 88916356
CID 88916357
CID 88916357
CID 88916359
CID 88916359

Frequently Asked Questions

What is the IUPAC name of CID 88930701?
The IUPAC name of CID 88930701 (CID 88930701) is not available.
What is the SMILES notation for CID 88930701?
The canonical SMILES for CID 88930701 is [B][C@@H]1O[C@H](CO)C(O)C1(F)C=C=C.
What is the InChIKey of CID 88930701?
The InChIKey is XETWAWIPIBUTOG-RYVOCIFZSA-N. The full InChI is InChI=1S/C8H10BFO3/c1-2-3-8(10)6(12)5(4-11)13-7(8)9/h3,5-7,11-12H,1,4H2/t5-,6?,7-,8?/m1/s1.
What are the key properties of CID 88930701?
CID 88930701 has a molecular weight of 183.97 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88930701 is sourced from PubChem (CID 88930701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).