CID 87203884

C6H2BF7 — CID 87203884

IUPAC—
SMILESF.F.[B]c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6BF5.2FH/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h;2*1H
InChIKeyLPORLUMGSWAMSZ-UHFFFAOYSA-N
MW217.88 g/mol
LogP1.48
Rot. Bonds

About CID 87203884

CID 87203884 (PubChem CID 87203884) has the molecular formula C6H2BF7 and a molecular weight of 217.88 g/mol.

Molecular Properties

Compound NameCID 87203884
PubChem CID87203884
Molecular FormulaC6H2BF7
Molecular Weight217.88 g/mol
Exact Mass218.01
IUPAC Name—
SMILESF.F.[B]c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6BF5.2FH/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h;2*1H
InChIKeyLPORLUMGSWAMSZ-UHFFFAOYSA-N
XLogP1.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.88
LogP ≤ 51.48
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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CID 174000853
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CID 174000824
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CID 174384413
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1,2,3,4,5,6,7,8,9,10,11,12-dodecafluorotriphenylene
CID 12871319
CID 87823096
CID 87823096

Frequently Asked Questions

What is the IUPAC name of CID 87203884?
The IUPAC name of CID 87203884 (CID 87203884) is not available.
What is the SMILES notation for CID 87203884?
The canonical SMILES for CID 87203884 is F.F.[B]c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of CID 87203884?
The InChIKey is LPORLUMGSWAMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6BF5.2FH/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h;2*1H.
What are the key properties of CID 87203884?
CID 87203884 has a molecular weight of 217.88 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87203884 is sourced from PubChem (CID 87203884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).