CID 176559683

C19H33BFN3O2 — CID 176559683

IUPAC—
SMILES[B]C1(F)CNCC[C@H]1N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H33BFN3O2/c1-17(2,3)26-16(25)24-12-7-18(8-13-24)5-10-23(11-6-18)15-4-9-22-14-19(15,20)21/h15,22H,4-14H2,1-3H3/t15-,19?/m1/s1
InChIKeyLNYHCLQUADJLQA-NYRJJRHWSA-N
MW365.30 g/mol
LogP2.30
Rot. Bonds1

About CID 176559683

CID 176559683 (PubChem CID 176559683) has the molecular formula C19H33BFN3O2 and a molecular weight of 365.30 g/mol.

Molecular Properties

Compound NameCID 176559683
PubChem CID176559683
Molecular FormulaC19H33BFN3O2
Molecular Weight365.30 g/mol
Exact Mass365.26
IUPAC Name—
SMILES[B]C1(F)CNCC[C@H]1N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H33BFN3O2/c1-17(2,3)26-16(25)24-12-7-18(8-13-24)5-10-23(11-6-18)15-4-9-22-14-19(15,20)21/h15,22H,4-14H2,1-3H3/t15-,19?/m1/s1
InChIKeyLNYHCLQUADJLQA-NYRJJRHWSA-N
XLogP2.30
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
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 176559683?
The IUPAC name of CID 176559683 (CID 176559683) is not available.
What is the SMILES notation for CID 176559683?
The canonical SMILES for CID 176559683 is [B]C1(F)CNCC[C@H]1N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of CID 176559683?
The InChIKey is LNYHCLQUADJLQA-NYRJJRHWSA-N. The full InChI is InChI=1S/C19H33BFN3O2/c1-17(2,3)26-16(25)24-12-7-18(8-13-24)5-10-23(11-6-18)15-4-9-22-14-19(15,20)21/h15,22H,4-14H2,1-3H3/t15-,19?/m1/s1.
What are the key properties of CID 176559683?
CID 176559683 has a molecular weight of 365.30 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176559683 is sourced from PubChem (CID 176559683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).