CID 58450261

C9H6ClF3O — CID 58450261

IUPAC—
SMILES[CH]OC(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C9H6ClF3O/c1-14-8(9(11,12)13)6-2-4-7(10)5-3-6/h1-5,8H
InChIKeyAGNWYXBDWWQYCO-UHFFFAOYSA-N
MW222.59 g/mol
LogP3.63
Rot. Bonds2

About CID 58450261

CID 58450261 (PubChem CID 58450261) has the molecular formula C9H6ClF3O and a molecular weight of 222.59 g/mol.

Molecular Properties

Compound NameCID 58450261
PubChem CID58450261
Molecular FormulaC9H6ClF3O
Molecular Weight222.59 g/mol
Exact Mass222.01
IUPAC Name—
SMILES[CH]OC(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C9H6ClF3O/c1-14-8(9(11,12)13)6-2-4-7(10)5-3-6/h1-5,8H
InChIKeyAGNWYXBDWWQYCO-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.59
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 58450261?
The IUPAC name of CID 58450261 (CID 58450261) is not available.
What is the SMILES notation for CID 58450261?
The canonical SMILES for CID 58450261 is [CH]OC(c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of CID 58450261?
The InChIKey is AGNWYXBDWWQYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3O/c1-14-8(9(11,12)13)6-2-4-7(10)5-3-6/h1-5,8H.
What are the key properties of CID 58450261?
CID 58450261 has a molecular weight of 222.59 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450261 is sourced from PubChem (CID 58450261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).