CID 154713158

C10H14BF3N2O2 — CID 154713158

IUPAC—
SMILESCCOC(=O)[C@H]([B-]c1n(C)cc[n+]1C)C(F)(F)F
InChIInChI=1S/C10H14BF3N2O2/c1-4-18-8(17)7(10(12,13)14)11-9-15(2)5-6-16(9)3/h5-7H,4H2,1-3H3/t7-/m0/s1
InChIKeyQKXUGUVAOBPDAW-ZETCQYMHSA-N
MW262.04 g/mol
LogP0.09
Rot. Bonds4

About CID 154713158

CID 154713158 (PubChem CID 154713158) has the molecular formula C10H14BF3N2O2 and a molecular weight of 262.04 g/mol.

Molecular Properties

Compound NameCID 154713158
PubChem CID154713158
Molecular FormulaC10H14BF3N2O2
Molecular Weight262.04 g/mol
Exact Mass262.11
IUPAC Name—
SMILESCCOC(=O)[C@H]([B-]c1n(C)cc[n+]1C)C(F)(F)F
InChIInChI=1S/C10H14BF3N2O2/c1-4-18-8(17)7(10(12,13)14)11-9-15(2)5-6-16(9)3/h5-7H,4H2,1-3H3/t7-/m0/s1
InChIKeyQKXUGUVAOBPDAW-ZETCQYMHSA-N
XLogP0.09
TPSA35.11 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.04
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 154713158?
The IUPAC name of CID 154713158 (CID 154713158) is not available.
What is the SMILES notation for CID 154713158?
The canonical SMILES for CID 154713158 is CCOC(=O)[C@H]([B-]c1n(C)cc[n+]1C)C(F)(F)F.
What is the InChIKey of CID 154713158?
The InChIKey is QKXUGUVAOBPDAW-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14BF3N2O2/c1-4-18-8(17)7(10(12,13)14)11-9-15(2)5-6-16(9)3/h5-7H,4H2,1-3H3/t7-/m0/s1.
What are the key properties of CID 154713158?
CID 154713158 has a molecular weight of 262.04 g/mol, XLogP of 0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154713158 is sourced from PubChem (CID 154713158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).