(2,2-dimethylpiperazin-1-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone

C14H16F4N2O — CID 65460537

IUPAC(2,2-dimethylpiperazin-1-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
SMILESCC1(C)CNCCN1C(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H16F4N2O/c1-13(2)8-19-5-6-20(13)12(21)9-3-4-11(15)10(7-9)14(16,17)18/h3-4,7,19H,5-6,8H2,1-2H3
InChIKeyIMSNEYNNURQSIE-UHFFFAOYSA-N
MW304.29 g/mol
LogP2.67
Rot. Bonds1

About (2,2-dimethylpiperazin-1-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone

(2,2-dimethylpiperazin-1-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone (PubChem CID 65460537) has the molecular formula C14H16F4N2O and a molecular weight of 304.29 g/mol. Its IUPAC name is (2,2-dimethylpiperazin-1-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2,2-dimethylpiperazin-1-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
PubChem CID65460537
Molecular FormulaC14H16F4N2O
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC Name(2,2-dimethylpiperazin-1-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
SMILESCC1(C)CNCCN1C(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H16F4N2O/c1-13(2)8-19-5-6-20(13)12(21)9-3-4-11(15)10(7-9)14(16,17)18/h3-4,7,19H,5-6,8H2,1-2H3
InChIKeyIMSNEYNNURQSIE-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpiperazin-1-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2,2-dimethylpiperazin-1-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone (CID 65460537) is (2,2-dimethylpiperazin-1-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2,2-dimethylpiperazin-1-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2,2-dimethylpiperazin-1-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone is CC1(C)CNCCN1C(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of (2,2-dimethylpiperazin-1-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
The InChIKey is IMSNEYNNURQSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O/c1-13(2)8-19-5-6-20(13)12(21)9-3-4-11(15)10(7-9)14(16,17)18/h3-4,7,19H,5-6,8H2,1-2H3.
What are the key properties of (2,2-dimethylpiperazin-1-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
(2,2-dimethylpiperazin-1-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone has a molecular weight of 304.29 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpiperazin-1-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 65460537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).