3-methylidene-2-[3-(trifluoromethyl)phenyl]isoindol-1-one

C16H10F3NO — CID 14662954

IUPAC3-methylidene-2-[3-(trifluoromethyl)phenyl]isoindol-1-one
SMILESC=C1c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H10F3NO/c1-10-13-7-2-3-8-14(13)15(21)20(10)12-6-4-5-11(9-12)16(17,18)19/h2-9H,1H2
InChIKeyFPDJXJIBNVETNX-UHFFFAOYSA-N
MW289.26 g/mol
LogP4.34
Rot. Bonds1

About 3-methylidene-2-[3-(trifluoromethyl)phenyl]isoindol-1-one

3-methylidene-2-[3-(trifluoromethyl)phenyl]isoindol-1-one (PubChem CID 14662954) has the molecular formula C16H10F3NO and a molecular weight of 289.26 g/mol. Its IUPAC name is 3-methylidene-2-[3-(trifluoromethyl)phenyl]isoindol-1-one.

Molecular Properties

Compound Name3-methylidene-2-[3-(trifluoromethyl)phenyl]isoindol-1-one
PubChem CID14662954
Molecular FormulaC16H10F3NO
Molecular Weight289.26 g/mol
Exact Mass289.07
IUPAC Name3-methylidene-2-[3-(trifluoromethyl)phenyl]isoindol-1-one
SMILESC=C1c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H10F3NO/c1-10-13-7-2-3-8-14(13)15(21)20(10)12-6-4-5-11(9-12)16(17,18)19/h2-9H,1H2
InChIKeyFPDJXJIBNVETNX-UHFFFAOYSA-N
XLogP4.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-methylidene-2-[3-(trifluoromethyl)phenyl]isoindol-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

Related Compounds

(4Z)-4-(dimethylaminomethylidene)-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione
CID 2329226
3-methyl-5-methylidene-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 10400913
2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-2-benzazepine-1,3-dione
CID 67936184
2,8-dimethyl-5,11-bis[3-(trifluoromethyl)phenyl]-5,11-diaza-2,8-diarsatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone
CID 102195126
2-[3,5-bis(trifluoromethyl)phenyl]isoquinoline-1,3,4-trione
CID 10715230
6-[3-(trifluoromethyl)phenyl]-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
CID 3602715
(4Z)-4-[(3-methoxyphenyl)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione
CID 18271497
3-chloro-4-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110583854
(15S,19S)-1,8-dibromo-17-[3-(trifluoromethyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 2260124
2-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylpropanoic acid
CID 58721880
2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 8547900
3-(2-methoxyphenyl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110566783

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2-[3-(trifluoromethyl)phenyl]isoindol-1-one?
The IUPAC name of 3-methylidene-2-[3-(trifluoromethyl)phenyl]isoindol-1-one (CID 14662954) is 3-methylidene-2-[3-(trifluoromethyl)phenyl]isoindol-1-one.
What is the SMILES notation for 3-methylidene-2-[3-(trifluoromethyl)phenyl]isoindol-1-one?
The canonical SMILES for 3-methylidene-2-[3-(trifluoromethyl)phenyl]isoindol-1-one is C=C1c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-methylidene-2-[3-(trifluoromethyl)phenyl]isoindol-1-one?
The InChIKey is FPDJXJIBNVETNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO/c1-10-13-7-2-3-8-14(13)15(21)20(10)12-6-4-5-11(9-12)16(17,18)19/h2-9H,1H2.
What are the key properties of 3-methylidene-2-[3-(trifluoromethyl)phenyl]isoindol-1-one?
3-methylidene-2-[3-(trifluoromethyl)phenyl]isoindol-1-one has a molecular weight of 289.26 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2-[3-(trifluoromethyl)phenyl]isoindol-1-one is sourced from PubChem (CID 14662954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).