CID 145008308

C7H3BClF3 — CID 145008308

IUPAC—
SMILES[B]c1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C7H3BClF3/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H
InChIKeyNOLZWOVUVNHFIF-UHFFFAOYSA-N
MW190.36 g/mol
LogP2.15
Rot. Bonds

About CID 145008308

CID 145008308 (PubChem CID 145008308) has the molecular formula C7H3BClF3 and a molecular weight of 190.36 g/mol.

Molecular Properties

Compound NameCID 145008308
PubChem CID145008308
Molecular FormulaC7H3BClF3
Molecular Weight190.36 g/mol
Exact Mass190.00
IUPAC Name—
SMILES[B]c1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C7H3BClF3/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H
InChIKeyNOLZWOVUVNHFIF-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 145008308?
The IUPAC name of CID 145008308 (CID 145008308) is not available.
What is the SMILES notation for CID 145008308?
The canonical SMILES for CID 145008308 is [B]c1ccc(C(F)(F)F)c(Cl)c1.
What is the InChIKey of CID 145008308?
The InChIKey is NOLZWOVUVNHFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BClF3/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H.
What are the key properties of CID 145008308?
CID 145008308 has a molecular weight of 190.36 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145008308 is sourced from PubChem (CID 145008308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).