CID 59347030

C8H8F+ — CID 59347030

IUPAC—
SMILES[CH2+]c1ccc(C)c(F)c1
InChIInChI=1S/C8H8F/c1-6-3-4-7(2)8(9)5-6/h3-5H,1H2,2H3/q+1
InChIKeyZSYYBPVXSDRTHR-UHFFFAOYSA-N
MW123.15 g/mol
LogP2.32
Rot. Bonds

About CID 59347030

CID 59347030 (PubChem CID 59347030) has the molecular formula C8H8F+ and a molecular weight of 123.15 g/mol.

Molecular Properties

Compound NameCID 59347030
PubChem CID59347030
Molecular FormulaC8H8F+
Molecular Weight123.15 g/mol
Exact Mass123.06
IUPAC Name—
SMILES[CH2+]c1ccc(C)c(F)c1
InChIInChI=1S/C8H8F/c1-6-3-4-7(2)8(9)5-6/h3-5H,1H2,2H3/q+1
InChIKeyZSYYBPVXSDRTHR-UHFFFAOYSA-N
XLogP2.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of CID 59347030?
The IUPAC name of CID 59347030 (CID 59347030) is not available.
What is the SMILES notation for CID 59347030?
The canonical SMILES for CID 59347030 is [CH2+]c1ccc(C)c(F)c1.
What is the InChIKey of CID 59347030?
The InChIKey is ZSYYBPVXSDRTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F/c1-6-3-4-7(2)8(9)5-6/h3-5H,1H2,2H3/q+1.
What are the key properties of CID 59347030?
CID 59347030 has a molecular weight of 123.15 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59347030 is sourced from PubChem (CID 59347030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).