CID 162530200

C9H6B2F4 — CID 162530200

IUPAC—
SMILES[B]c1c(F)c(F)c(C([B])(C)C)c(F)c1F
InChIInChI=1S/C9H6B2F4/c1-9(2,11)3-5(12)7(14)4(10)8(15)6(3)13/h1-2H3
InChIKeyPQBGHCKQYNFHKW-UHFFFAOYSA-N
MW211.76 g/mol
LogP1.44
Rot. Bonds1

About CID 162530200

CID 162530200 (PubChem CID 162530200) has the molecular formula C9H6B2F4 and a molecular weight of 211.76 g/mol.

Molecular Properties

Compound NameCID 162530200
PubChem CID162530200
Molecular FormulaC9H6B2F4
Molecular Weight211.76 g/mol
Exact Mass212.06
IUPAC Name—
SMILES[B]c1c(F)c(F)c(C([B])(C)C)c(F)c1F
InChIInChI=1S/C9H6B2F4/c1-9(2,11)3-5(12)7(14)4(10)8(15)6(3)13/h1-2H3
InChIKeyPQBGHCKQYNFHKW-UHFFFAOYSA-N
XLogP1.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.76
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 162530200?
The IUPAC name of CID 162530200 (CID 162530200) is not available.
What is the SMILES notation for CID 162530200?
The canonical SMILES for CID 162530200 is [B]c1c(F)c(F)c(C([B])(C)C)c(F)c1F.
What is the InChIKey of CID 162530200?
The InChIKey is PQBGHCKQYNFHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6B2F4/c1-9(2,11)3-5(12)7(14)4(10)8(15)6(3)13/h1-2H3.
What are the key properties of CID 162530200?
CID 162530200 has a molecular weight of 211.76 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162530200 is sourced from PubChem (CID 162530200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).