CID 123489663

C10H14BF2NO — CID 123489663

IUPAC—
SMILES[B]CC=CC1CC(F)(F)C(=O)N1C(C)C
InChIInChI=1S/C10H14BF2NO/c1-7(2)14-8(4-3-5-11)6-10(12,13)9(14)15/h3-4,7-8H,5-6H2,1-2H3
InChIKeyGFJTWKCGDBIFCJ-UHFFFAOYSA-N
MW213.04 g/mol
LogP1.77
Rot. Bonds3

About CID 123489663

CID 123489663 (PubChem CID 123489663) has the molecular formula C10H14BF2NO and a molecular weight of 213.04 g/mol.

Molecular Properties

Compound NameCID 123489663
PubChem CID123489663
Molecular FormulaC10H14BF2NO
Molecular Weight213.04 g/mol
Exact Mass213.11
IUPAC Name—
SMILES[B]CC=CC1CC(F)(F)C(=O)N1C(C)C
InChIInChI=1S/C10H14BF2NO/c1-7(2)14-8(4-3-5-11)6-10(12,13)9(14)15/h3-4,7-8H,5-6H2,1-2H3
InChIKeyGFJTWKCGDBIFCJ-UHFFFAOYSA-N
XLogP1.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.04
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 123489663?
The IUPAC name of CID 123489663 (CID 123489663) is not available.
What is the SMILES notation for CID 123489663?
The canonical SMILES for CID 123489663 is [B]CC=CC1CC(F)(F)C(=O)N1C(C)C.
What is the InChIKey of CID 123489663?
The InChIKey is GFJTWKCGDBIFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BF2NO/c1-7(2)14-8(4-3-5-11)6-10(12,13)9(14)15/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of CID 123489663?
CID 123489663 has a molecular weight of 213.04 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123489663 is sourced from PubChem (CID 123489663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).