CID 88572221

C10H19BFNO — CID 88572221

IUPAC—
SMILES[B][C@@H]1O[C@@](CC)(CCCN)[C@H](C)C1F
InChIInChI=1S/C10H19BFNO/c1-3-10(5-4-6-13)7(2)8(12)9(11)14-10/h7-9H,3-6,13H2,1-2H3/t7-,8?,9-,10+/m1/s1
InChIKeyGEVYKMULJJOYPY-GQDPBHBBSA-N
MW199.08 g/mol
LogP1.37
Rot. Bonds4

About CID 88572221

CID 88572221 (PubChem CID 88572221) has the molecular formula C10H19BFNO and a molecular weight of 199.08 g/mol.

Molecular Properties

Compound NameCID 88572221
PubChem CID88572221
Molecular FormulaC10H19BFNO
Molecular Weight199.08 g/mol
Exact Mass199.15
IUPAC Name—
SMILES[B][C@@H]1O[C@@](CC)(CCCN)[C@H](C)C1F
InChIInChI=1S/C10H19BFNO/c1-3-10(5-4-6-13)7(2)8(12)9(11)14-10/h7-9H,3-6,13H2,1-2H3/t7-,8?,9-,10+/m1/s1
InChIKeyGEVYKMULJJOYPY-GQDPBHBBSA-N
XLogP1.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.08
LogP ≤ 51.37
H-Bond Donors ≤ 51
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 88572221?
The IUPAC name of CID 88572221 (CID 88572221) is not available.
What is the SMILES notation for CID 88572221?
The canonical SMILES for CID 88572221 is [B][C@@H]1O[C@@](CC)(CCCN)[C@H](C)C1F.
What is the InChIKey of CID 88572221?
The InChIKey is GEVYKMULJJOYPY-GQDPBHBBSA-N. The full InChI is InChI=1S/C10H19BFNO/c1-3-10(5-4-6-13)7(2)8(12)9(11)14-10/h7-9H,3-6,13H2,1-2H3/t7-,8?,9-,10+/m1/s1.
What are the key properties of CID 88572221?
CID 88572221 has a molecular weight of 199.08 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88572221 is sourced from PubChem (CID 88572221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).