CID 57420001

C7H3ClF3 — CID 57420001

IUPAC—
SMILESFC(F)(F)c1c[c]c(Cl)cc1
InChIInChI=1S/C7H3ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-3H
InChIKeyZZUOJJXPOPKNKD-UHFFFAOYSA-N
MW179.55 g/mol
LogP3.16
Rot. Bonds

About CID 57420001

CID 57420001 (PubChem CID 57420001) has the molecular formula C7H3ClF3 and a molecular weight of 179.55 g/mol.

Molecular Properties

Compound NameCID 57420001
PubChem CID57420001
Molecular FormulaC7H3ClF3
Molecular Weight179.55 g/mol
Exact Mass178.99
IUPAC Name—
SMILESFC(F)(F)c1c[c]c(Cl)cc1
InChIInChI=1S/C7H3ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-3H
InChIKeyZZUOJJXPOPKNKD-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.55
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 57420001?
The IUPAC name of CID 57420001 (CID 57420001) is not available.
What is the SMILES notation for CID 57420001?
The canonical SMILES for CID 57420001 is FC(F)(F)c1c[c]c(Cl)cc1.
What is the InChIKey of CID 57420001?
The InChIKey is ZZUOJJXPOPKNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-3H.
What are the key properties of CID 57420001?
CID 57420001 has a molecular weight of 179.55 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57420001 is sourced from PubChem (CID 57420001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).