CID 178055088

C14H7BF6O3 — CID 178055088

IUPAC—
SMILES[B]c1ccc(Oc2ccc(OC(F)(F)F)cc2)c(OC(F)(F)F)c1
InChIInChI=1S/C14H7BF6O3/c15-8-1-6-11(12(7-8)24-14(19,20)21)22-9-2-4-10(5-3-9)23-13(16,17)18/h1-7H
InChIKeyDXRUPUMEINDOKW-UHFFFAOYSA-N
MW348.01 g/mol
LogP4.07
Rot. Bonds4

About CID 178055088

CID 178055088 (PubChem CID 178055088) has the molecular formula C14H7BF6O3 and a molecular weight of 348.01 g/mol.

Molecular Properties

Compound NameCID 178055088
PubChem CID178055088
Molecular FormulaC14H7BF6O3
Molecular Weight348.01 g/mol
Exact Mass348.04
IUPAC Name—
SMILES[B]c1ccc(Oc2ccc(OC(F)(F)F)cc2)c(OC(F)(F)F)c1
InChIInChI=1S/C14H7BF6O3/c15-8-1-6-11(12(7-8)24-14(19,20)21)22-9-2-4-10(5-3-9)23-13(16,17)18/h1-7H
InChIKeyDXRUPUMEINDOKW-UHFFFAOYSA-N
XLogP4.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.01
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 178055088?
The IUPAC name of CID 178055088 (CID 178055088) is not available.
What is the SMILES notation for CID 178055088?
The canonical SMILES for CID 178055088 is [B]c1ccc(Oc2ccc(OC(F)(F)F)cc2)c(OC(F)(F)F)c1.
What is the InChIKey of CID 178055088?
The InChIKey is DXRUPUMEINDOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BF6O3/c15-8-1-6-11(12(7-8)24-14(19,20)21)22-9-2-4-10(5-3-9)23-13(16,17)18/h1-7H.
What are the key properties of CID 178055088?
CID 178055088 has a molecular weight of 348.01 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178055088 is sourced from PubChem (CID 178055088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).