CID 59248141

C10H11BF2O2 — CID 59248141

IUPAC—
SMILES[B][C@@H]1C[C@](C=C=C)(CO)[C@H](O)C1=C(F)F
InChIInChI=1S/C10H11BF2O2/c1-2-3-10(5-14)4-6(11)7(8(10)15)9(12)13/h3,6,8,14-15H,1,4-5H2/t6-,8-,10-/m1/s1
InChIKeyQGAIJHNVQDNHQQ-GTNGPMTGSA-N
MW212.00 g/mol
LogP1.18
Rot. Bonds2

About CID 59248141

CID 59248141 (PubChem CID 59248141) has the molecular formula C10H11BF2O2 and a molecular weight of 212.00 g/mol.

Molecular Properties

Compound NameCID 59248141
PubChem CID59248141
Molecular FormulaC10H11BF2O2
Molecular Weight212.00 g/mol
Exact Mass212.08
IUPAC Name—
SMILES[B][C@@H]1C[C@](C=C=C)(CO)[C@H](O)C1=C(F)F
InChIInChI=1S/C10H11BF2O2/c1-2-3-10(5-14)4-6(11)7(8(10)15)9(12)13/h3,6,8,14-15H,1,4-5H2/t6-,8-,10-/m1/s1
InChIKeyQGAIJHNVQDNHQQ-GTNGPMTGSA-N
XLogP1.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.00
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 59248141?
The IUPAC name of CID 59248141 (CID 59248141) is not available.
What is the SMILES notation for CID 59248141?
The canonical SMILES for CID 59248141 is [B][C@@H]1C[C@](C=C=C)(CO)[C@H](O)C1=C(F)F.
What is the InChIKey of CID 59248141?
The InChIKey is QGAIJHNVQDNHQQ-GTNGPMTGSA-N. The full InChI is InChI=1S/C10H11BF2O2/c1-2-3-10(5-14)4-6(11)7(8(10)15)9(12)13/h3,6,8,14-15H,1,4-5H2/t6-,8-,10-/m1/s1.
What are the key properties of CID 59248141?
CID 59248141 has a molecular weight of 212.00 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59248141 is sourced from PubChem (CID 59248141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).