3-(trifluoromethyl)phenalen-1-one

C14H7F3O — CID 1040288

IUPAC3-(trifluoromethyl)phenalen-1-one
SMILESO=C1C=C(C(F)(F)F)c2cccc3cccc1c23
InChIInChI=1S/C14H7F3O/c15-14(16,17)11-7-12(18)10-6-2-4-8-3-1-5-9(11)13(8)10/h1-7H
InChIKeyNPAMHJSCPHSKOV-UHFFFAOYSA-N
MW248.20 g/mol
LogP3.98
Rot. Bonds

About 3-(trifluoromethyl)phenalen-1-one

3-(trifluoromethyl)phenalen-1-one (PubChem CID 1040288) has the molecular formula C14H7F3O and a molecular weight of 248.20 g/mol. Its IUPAC name is 3-(trifluoromethyl)phenalen-1-one.

Molecular Properties

Compound Name3-(trifluoromethyl)phenalen-1-one
PubChem CID1040288
Molecular FormulaC14H7F3O
Molecular Weight248.20 g/mol
Exact Mass248.04
IUPAC Name3-(trifluoromethyl)phenalen-1-one
SMILESO=C1C=C(C(F)(F)F)c2cccc3cccc1c23
InChIInChI=1S/C14H7F3O/c15-14(16,17)11-7-12(18)10-6-2-4-8-3-1-5-9(11)13(8)10/h1-7H
InChIKeyNPAMHJSCPHSKOV-UHFFFAOYSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(trifluoromethyl)phenalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)phenalen-1-one?
The IUPAC name of 3-(trifluoromethyl)phenalen-1-one (CID 1040288) is 3-(trifluoromethyl)phenalen-1-one.
What is the SMILES notation for 3-(trifluoromethyl)phenalen-1-one?
The canonical SMILES for 3-(trifluoromethyl)phenalen-1-one is O=C1C=C(C(F)(F)F)c2cccc3cccc1c23.
What is the InChIKey of 3-(trifluoromethyl)phenalen-1-one?
The InChIKey is NPAMHJSCPHSKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3O/c15-14(16,17)11-7-12(18)10-6-2-4-8-3-1-5-9(11)13(8)10/h1-7H.
What are the key properties of 3-(trifluoromethyl)phenalen-1-one?
3-(trifluoromethyl)phenalen-1-one has a molecular weight of 248.20 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)phenalen-1-one is sourced from PubChem (CID 1040288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).