CID 174948635

CBClF3 — CID 174948635

IUPAC—
SMILESFC(F)(F)[B]Cl
InChIInChI=1S/CBClF3/c3-2-1(4,5)6
InChIKeyWWWOFBQANFFPOJ-UHFFFAOYSA-N
MW115.27 g/mol
LogP1.36
Rot. Bonds

About CID 174948635

CID 174948635 (PubChem CID 174948635) has the molecular formula CBClF3 and a molecular weight of 115.27 g/mol.

Molecular Properties

Compound NameCID 174948635
PubChem CID174948635
Molecular FormulaCBClF3
Molecular Weight115.27 g/mol
Exact Mass114.97
IUPAC Name—
SMILESFC(F)(F)[B]Cl
InChIInChI=1S/CBClF3/c3-2-1(4,5)6
InChIKeyWWWOFBQANFFPOJ-UHFFFAOYSA-N
XLogP1.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.27
LogP ≤ 51.36
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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CID 6426
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Frequently Asked Questions

What is the IUPAC name of CID 174948635?
The IUPAC name of CID 174948635 (CID 174948635) is not available.
What is the SMILES notation for CID 174948635?
The canonical SMILES for CID 174948635 is FC(F)(F)[B]Cl.
What is the InChIKey of CID 174948635?
The InChIKey is WWWOFBQANFFPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CBClF3/c3-2-1(4,5)6.
What are the key properties of CID 174948635?
CID 174948635 has a molecular weight of 115.27 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174948635 is sourced from PubChem (CID 174948635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).