CID 159997610

C6HBF7 — CID 159997610

IUPAC—
SMILESF.Fc1c(F)c(F)c(F)c(F)c1F.[B]
InChIInChI=1S/C6F6.B.FH/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h;;1H
InChIKeyAIXUMTYXRWSRTQ-UHFFFAOYSA-N
MW216.87 g/mol
LogP2.29
Rot. Bonds

About CID 159997610

CID 159997610 (PubChem CID 159997610) has the molecular formula C6HBF7 and a molecular weight of 216.87 g/mol.

Molecular Properties

Compound NameCID 159997610
PubChem CID159997610
Molecular FormulaC6HBF7
Molecular Weight216.87 g/mol
Exact Mass217.01
IUPAC Name—
SMILESF.Fc1c(F)c(F)c(F)c(F)c1F.[B]
InChIInChI=1S/C6F6.B.FH/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h;;1H
InChIKeyAIXUMTYXRWSRTQ-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.87
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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 159997610?
The IUPAC name of CID 159997610 (CID 159997610) is not available.
What is the SMILES notation for CID 159997610?
The canonical SMILES for CID 159997610 is F.Fc1c(F)c(F)c(F)c(F)c1F.[B].
What is the InChIKey of CID 159997610?
The InChIKey is AIXUMTYXRWSRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F6.B.FH/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h;;1H.
What are the key properties of CID 159997610?
CID 159997610 has a molecular weight of 216.87 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159997610 is sourced from PubChem (CID 159997610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).