CID 134961618

C7H5F3- — CID 134961618

IUPAC—
SMILESFC(F)(F)C1=C[CH-][CH]C=C1
InChIInChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H/q-1
InChIKeyRCXQHGFBTDXGGQ-UHFFFAOYSA-N
MW146.11 g/mol
LogP2.45
Rot. Bonds

About CID 134961618

CID 134961618 (PubChem CID 134961618) has the molecular formula C7H5F3- and a molecular weight of 146.11 g/mol.

Molecular Properties

Compound NameCID 134961618
PubChem CID134961618
Molecular FormulaC7H5F3-
Molecular Weight146.11 g/mol
Exact Mass146.03
IUPAC Name—
SMILESFC(F)(F)C1=C[CH-][CH]C=C1
InChIInChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H/q-1
InChIKeyRCXQHGFBTDXGGQ-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.11
LogP ≤ 52.45
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 134961618?
The IUPAC name of CID 134961618 (CID 134961618) is not available.
What is the SMILES notation for CID 134961618?
The canonical SMILES for CID 134961618 is FC(F)(F)C1=C[CH-][CH]C=C1.
What is the InChIKey of CID 134961618?
The InChIKey is RCXQHGFBTDXGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H/q-1.
What are the key properties of CID 134961618?
CID 134961618 has a molecular weight of 146.11 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134961618 is sourced from PubChem (CID 134961618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).