CID 91484567

C8H5F4- — CID 91484567

IUPAC—
SMILES[CH2-]c1c(F)c(F)c(C)c(F)c1F
InChIInChI=1S/C8H5F4/c1-3-5(9)7(11)4(2)8(12)6(3)10/h1H2,2H3/q-1
InChIKeyKDTQZGKAQYXZHF-UHFFFAOYSA-N
MW177.12 g/mol
LogP2.73
Rot. Bonds

About CID 91484567

CID 91484567 (PubChem CID 91484567) has the molecular formula C8H5F4- and a molecular weight of 177.12 g/mol.

Molecular Properties

Compound NameCID 91484567
PubChem CID91484567
Molecular FormulaC8H5F4-
Molecular Weight177.12 g/mol
Exact Mass177.03
IUPAC Name—
SMILES[CH2-]c1c(F)c(F)c(C)c(F)c1F
InChIInChI=1S/C8H5F4/c1-3-5(9)7(11)4(2)8(12)6(3)10/h1H2,2H3/q-1
InChIKeyKDTQZGKAQYXZHF-UHFFFAOYSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 91484567?
The IUPAC name of CID 91484567 (CID 91484567) is not available.
What is the SMILES notation for CID 91484567?
The canonical SMILES for CID 91484567 is [CH2-]c1c(F)c(F)c(C)c(F)c1F.
What is the InChIKey of CID 91484567?
The InChIKey is KDTQZGKAQYXZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4/c1-3-5(9)7(11)4(2)8(12)6(3)10/h1H2,2H3/q-1.
What are the key properties of CID 91484567?
CID 91484567 has a molecular weight of 177.12 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91484567 is sourced from PubChem (CID 91484567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).