CID 86152769

C8H6F3+ — CID 86152769

IUPAC—
SMILES[CH2+]c1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H6F3/c1-6-3-2-4-7(5-6)8(9,10)11/h2-5H,1H2/q+1
InChIKeyBETZXOXHZSXHMM-UHFFFAOYSA-N
MW159.13 g/mol
LogP2.89
Rot. Bonds

About CID 86152769

CID 86152769 (PubChem CID 86152769) has the molecular formula C8H6F3+ and a molecular weight of 159.13 g/mol.

Molecular Properties

Compound NameCID 86152769
PubChem CID86152769
Molecular FormulaC8H6F3+
Molecular Weight159.13 g/mol
Exact Mass159.04
IUPAC Name—
SMILES[CH2+]c1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H6F3/c1-6-3-2-4-7(5-6)8(9,10)11/h2-5H,1H2/q+1
InChIKeyBETZXOXHZSXHMM-UHFFFAOYSA-N
XLogP2.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.13
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene
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CID 139243033
CID 175024137
CID 175024137
1-(1,1,2-trifluoroethyl)-3-(trifluoromethyl)benzene
CID 141060662
fluoro-bis[3-(trifluoromethyl)phenyl]borane
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1,3-bis[3-(trifluoromethyl)phenyl]thiourea
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Frequently Asked Questions

What is the IUPAC name of CID 86152769?
The IUPAC name of CID 86152769 (CID 86152769) is not available.
What is the SMILES notation for CID 86152769?
The canonical SMILES for CID 86152769 is [CH2+]c1cccc(C(F)(F)F)c1.
What is the InChIKey of CID 86152769?
The InChIKey is BETZXOXHZSXHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3/c1-6-3-2-4-7(5-6)8(9,10)11/h2-5H,1H2/q+1.
What are the key properties of CID 86152769?
CID 86152769 has a molecular weight of 159.13 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86152769 is sourced from PubChem (CID 86152769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).