CID 88916336

C8H10BFO4 — CID 88916336

IUPAC—
SMILES[B][C@]1(F)O[C@H](CO)[C@H](O)C1(O)C=C=C
InChIInChI=1S/C8H10BFO4/c1-2-3-7(13)6(12)5(4-11)14-8(7,9)10/h3,5-6,11-13H,1,4H2/t5-,6+,7?,8-/m1/s1
InChIKeyNMSRIPDVHULWMB-JJFBUQMESA-N
MW199.97 g/mol
LogP-1.40
Rot. Bonds2

About CID 88916336

CID 88916336 (PubChem CID 88916336) has the molecular formula C8H10BFO4 and a molecular weight of 199.97 g/mol.

Molecular Properties

Compound NameCID 88916336
PubChem CID88916336
Molecular FormulaC8H10BFO4
Molecular Weight199.97 g/mol
Exact Mass200.07
IUPAC Name—
SMILES[B][C@]1(F)O[C@H](CO)[C@H](O)C1(O)C=C=C
InChIInChI=1S/C8H10BFO4/c1-2-3-7(13)6(12)5(4-11)14-8(7,9)10/h3,5-6,11-13H,1,4H2/t5-,6+,7?,8-/m1/s1
InChIKeyNMSRIPDVHULWMB-JJFBUQMESA-N
XLogP-1.40
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.97
LogP ≤ 5-1.40
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 88916336?
The IUPAC name of CID 88916336 (CID 88916336) is not available.
What is the SMILES notation for CID 88916336?
The canonical SMILES for CID 88916336 is [B][C@]1(F)O[C@H](CO)[C@H](O)C1(O)C=C=C.
What is the InChIKey of CID 88916336?
The InChIKey is NMSRIPDVHULWMB-JJFBUQMESA-N. The full InChI is InChI=1S/C8H10BFO4/c1-2-3-7(13)6(12)5(4-11)14-8(7,9)10/h3,5-6,11-13H,1,4H2/t5-,6+,7?,8-/m1/s1.
What are the key properties of CID 88916336?
CID 88916336 has a molecular weight of 199.97 g/mol, XLogP of -1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88916336 is sourced from PubChem (CID 88916336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).