CID 58971978

C10H17BFO3P — CID 58971978

IUPAC—
SMILES[B]C1CC(CP(=O)(OCC)OCC)C=C1F
InChIInChI=1S/C10H17BFO3P/c1-3-14-16(13,15-4-2)7-8-5-9(11)10(12)6-8/h6,8-9H,3-5,7H2,1-2H3
InChIKeyQSIBRXBIIIZRDC-UHFFFAOYSA-N
MW246.03 g/mol
LogP3.08
Rot. Bonds6

About CID 58971978

CID 58971978 (PubChem CID 58971978) has the molecular formula C10H17BFO3P and a molecular weight of 246.03 g/mol.

Molecular Properties

Compound NameCID 58971978
PubChem CID58971978
Molecular FormulaC10H17BFO3P
Molecular Weight246.03 g/mol
Exact Mass246.10
IUPAC Name—
SMILES[B]C1CC(CP(=O)(OCC)OCC)C=C1F
InChIInChI=1S/C10H17BFO3P/c1-3-14-16(13,15-4-2)7-8-5-9(11)10(12)6-8/h6,8-9H,3-5,7H2,1-2H3
InChIKeyQSIBRXBIIIZRDC-UHFFFAOYSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.03
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58971978?
The IUPAC name of CID 58971978 (CID 58971978) is not available.
What is the SMILES notation for CID 58971978?
The canonical SMILES for CID 58971978 is [B]C1CC(CP(=O)(OCC)OCC)C=C1F.
What is the InChIKey of CID 58971978?
The InChIKey is QSIBRXBIIIZRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BFO3P/c1-3-14-16(13,15-4-2)7-8-5-9(11)10(12)6-8/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of CID 58971978?
CID 58971978 has a molecular weight of 246.03 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58971978 is sourced from PubChem (CID 58971978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).