CID 156737464

C13H25BFNO4 — CID 156737464

IUPAC—
SMILES[B]C1OC(COF)C(OC(C)C)C1OCCC(C)NC
InChIInChI=1S/C13H25BFNO4/c1-8(2)19-11-10(7-18-15)20-13(14)12(11)17-6-5-9(3)16-4/h8-13,16H,5-7H2,1-4H3
InChIKeyPRLFMHSTJCBUPM-UHFFFAOYSA-N
MW289.16 g/mol
LogP0.96
Rot. Bonds9

About CID 156737464

CID 156737464 (PubChem CID 156737464) has the molecular formula C13H25BFNO4 and a molecular weight of 289.16 g/mol.

Molecular Properties

Compound NameCID 156737464
PubChem CID156737464
Molecular FormulaC13H25BFNO4
Molecular Weight289.16 g/mol
Exact Mass289.19
IUPAC Name—
SMILES[B]C1OC(COF)C(OC(C)C)C1OCCC(C)NC
InChIInChI=1S/C13H25BFNO4/c1-8(2)19-11-10(7-18-15)20-13(14)12(11)17-6-5-9(3)16-4/h8-13,16H,5-7H2,1-4H3
InChIKeyPRLFMHSTJCBUPM-UHFFFAOYSA-N
XLogP0.96
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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N-methyl-5-(3-methylbutoxy)pentan-2-amine
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Frequently Asked Questions

What is the IUPAC name of CID 156737464?
The IUPAC name of CID 156737464 (CID 156737464) is not available.
What is the SMILES notation for CID 156737464?
The canonical SMILES for CID 156737464 is [B]C1OC(COF)C(OC(C)C)C1OCCC(C)NC.
What is the InChIKey of CID 156737464?
The InChIKey is PRLFMHSTJCBUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BFNO4/c1-8(2)19-11-10(7-18-15)20-13(14)12(11)17-6-5-9(3)16-4/h8-13,16H,5-7H2,1-4H3.
What are the key properties of CID 156737464?
CID 156737464 has a molecular weight of 289.16 g/mol, XLogP of 0.96, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156737464 is sourced from PubChem (CID 156737464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).