ethane;2-(4-fluorophenyl)-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]ethanone

C16H22F4N2O — CID 145352666

IUPACethane;2-(4-fluorophenyl)-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]ethanone
SMILESCC.CN1CCN(C(=O)Cc2ccc(F)cc2)CC1C(F)(F)F
InChIInChI=1S/C14H16F4N2O.C2H6/c1-19-6-7-20(9-12(19)14(16,17)18)13(21)8-10-2-4-11(15)5-3-10;1-2/h2-5,12H,6-9H2,1H3;1-2H3
InChIKeyIKGHPRJBOPFHBO-UHFFFAOYSA-N
MW334.36 g/mol
LogP3.10
Rot. Bonds2

About ethane;2-(4-fluorophenyl)-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]ethanone

ethane;2-(4-fluorophenyl)-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]ethanone (PubChem CID 145352666) has the molecular formula C16H22F4N2O and a molecular weight of 334.36 g/mol. Its IUPAC name is ethane;2-(4-fluorophenyl)-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;2-(4-fluorophenyl)-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]ethanone
PubChem CID145352666
Molecular FormulaC16H22F4N2O
Molecular Weight334.36 g/mol
Exact Mass334.17
IUPAC Nameethane;2-(4-fluorophenyl)-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]ethanone
SMILESCC.CN1CCN(C(=O)Cc2ccc(F)cc2)CC1C(F)(F)F
InChIInChI=1S/C14H16F4N2O.C2H6/c1-19-6-7-20(9-12(19)14(16,17)18)13(21)8-10-2-4-11(15)5-3-10;1-2/h2-5,12H,6-9H2,1H3;1-2H3
InChIKeyIKGHPRJBOPFHBO-UHFFFAOYSA-N
XLogP3.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;2-(4-fluorophenyl)-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]ethanone 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

2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 62069201
2-(4-fluorophenyl)-1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 66195575
1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 63753631
2-(4-fluorophenyl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 110868312
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121974
1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110365702
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121972
methyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate
CID 110365716
2-(4-fluorophenyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone
CID 63239769
2-(4-fluorophenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120995454

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-fluorophenyl)-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]ethanone?
The IUPAC name of ethane;2-(4-fluorophenyl)-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]ethanone (CID 145352666) is ethane;2-(4-fluorophenyl)-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for ethane;2-(4-fluorophenyl)-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]ethanone?
The canonical SMILES for ethane;2-(4-fluorophenyl)-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]ethanone is CC.CN1CCN(C(=O)Cc2ccc(F)cc2)CC1C(F)(F)F.
What is the InChIKey of ethane;2-(4-fluorophenyl)-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]ethanone?
The InChIKey is IKGHPRJBOPFHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O.C2H6/c1-19-6-7-20(9-12(19)14(16,17)18)13(21)8-10-2-4-11(15)5-3-10;1-2/h2-5,12H,6-9H2,1H3;1-2H3.
What are the key properties of ethane;2-(4-fluorophenyl)-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]ethanone?
ethane;2-(4-fluorophenyl)-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]ethanone has a molecular weight of 334.36 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-fluorophenyl)-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 145352666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).