CID 95476507

C7H5F2- — CID 95476507

IUPAC—
SMILES[CH2-]c1c(F)cccc1F
InChIInChI=1S/C7H5F2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H2/q-1
InChIKeyJDPGNOQXCBIPBA-UHFFFAOYSA-N
MW127.11 g/mol
LogP2.15
Rot. Bonds

About CID 95476507

CID 95476507 (PubChem CID 95476507) has the molecular formula C7H5F2- and a molecular weight of 127.11 g/mol.

Molecular Properties

Compound NameCID 95476507
PubChem CID95476507
Molecular FormulaC7H5F2-
Molecular Weight127.11 g/mol
Exact Mass127.04
IUPAC Name—
SMILES[CH2-]c1c(F)cccc1F
InChIInChI=1S/C7H5F2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H2/q-1
InChIKeyJDPGNOQXCBIPBA-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.11
LogP ≤ 52.15
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 95476507?
The IUPAC name of CID 95476507 (CID 95476507) is not available.
What is the SMILES notation for CID 95476507?
The canonical SMILES for CID 95476507 is [CH2-]c1c(F)cccc1F.
What is the InChIKey of CID 95476507?
The InChIKey is JDPGNOQXCBIPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H2/q-1.
What are the key properties of CID 95476507?
CID 95476507 has a molecular weight of 127.11 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 95476507 is sourced from PubChem (CID 95476507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).