CID 154519105

C8H10BF7O2 — CID 154519105

IUPAC—
SMILES[B]C(C)C[C@@H](F)C(O)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10BF7O2/c1-3(9)2-4(10)5(17)6(18,7(11,12)13)8(14,15)16/h3-5,17-18H,2H2,1H3/t3?,4-,5?/m1/s1
InChIKeyQRINOXBOWZLAPN-ACHVEOLNSA-N
MW281.96 g/mol
LogP1.91
Rot. Bonds4

About CID 154519105

CID 154519105 (PubChem CID 154519105) has the molecular formula C8H10BF7O2 and a molecular weight of 281.96 g/mol.

Molecular Properties

Compound NameCID 154519105
PubChem CID154519105
Molecular FormulaC8H10BF7O2
Molecular Weight281.96 g/mol
Exact Mass282.07
IUPAC Name—
SMILES[B]C(C)C[C@@H](F)C(O)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10BF7O2/c1-3(9)2-4(10)5(17)6(18,7(11,12)13)8(14,15)16/h3-5,17-18H,2H2,1H3/t3?,4-,5?/m1/s1
InChIKeyQRINOXBOWZLAPN-ACHVEOLNSA-N
XLogP1.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.96
LogP ≤ 51.91
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 154519105?
The IUPAC name of CID 154519105 (CID 154519105) is not available.
What is the SMILES notation for CID 154519105?
The canonical SMILES for CID 154519105 is [B]C(C)C[C@@H](F)C(O)C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of CID 154519105?
The InChIKey is QRINOXBOWZLAPN-ACHVEOLNSA-N. The full InChI is InChI=1S/C8H10BF7O2/c1-3(9)2-4(10)5(17)6(18,7(11,12)13)8(14,15)16/h3-5,17-18H,2H2,1H3/t3?,4-,5?/m1/s1.
What are the key properties of CID 154519105?
CID 154519105 has a molecular weight of 281.96 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154519105 is sourced from PubChem (CID 154519105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).