CID 88916343

C10H14BFO4 — CID 88916343

IUPAC—
SMILES[B][C@]1(F)O[C@H](CO)[C@H](O)C1(O)C=C=C(C)C
InChIInChI=1S/C10H14BFO4/c1-6(2)3-4-9(15)8(14)7(5-13)16-10(9,11)12/h4,7-8,13-15H,5H2,1-2H3/t7-,8+,9?,10-/m1/s1
InChIKeyBBLTXKUBYQUWRW-URJDPWSZSA-N
MW228.03 g/mol
LogP-0.62
Rot. Bonds2

About CID 88916343

CID 88916343 (PubChem CID 88916343) has the molecular formula C10H14BFO4 and a molecular weight of 228.03 g/mol.

Molecular Properties

Compound NameCID 88916343
PubChem CID88916343
Molecular FormulaC10H14BFO4
Molecular Weight228.03 g/mol
Exact Mass228.10
IUPAC Name—
SMILES[B][C@]1(F)O[C@H](CO)[C@H](O)C1(O)C=C=C(C)C
InChIInChI=1S/C10H14BFO4/c1-6(2)3-4-9(15)8(14)7(5-13)16-10(9,11)12/h4,7-8,13-15H,5H2,1-2H3/t7-,8+,9?,10-/m1/s1
InChIKeyBBLTXKUBYQUWRW-URJDPWSZSA-N
XLogP-0.62
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.03
LogP ≤ 5-0.62
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 88916343?
The IUPAC name of CID 88916343 (CID 88916343) is not available.
What is the SMILES notation for CID 88916343?
The canonical SMILES for CID 88916343 is [B][C@]1(F)O[C@H](CO)[C@H](O)C1(O)C=C=C(C)C.
What is the InChIKey of CID 88916343?
The InChIKey is BBLTXKUBYQUWRW-URJDPWSZSA-N. The full InChI is InChI=1S/C10H14BFO4/c1-6(2)3-4-9(15)8(14)7(5-13)16-10(9,11)12/h4,7-8,13-15H,5H2,1-2H3/t7-,8+,9?,10-/m1/s1.
What are the key properties of CID 88916343?
CID 88916343 has a molecular weight of 228.03 g/mol, XLogP of -0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88916343 is sourced from PubChem (CID 88916343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).