1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine

C14H17F3N2O — CID 70922738

IUPAC1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine
SMILESFC(F)(F)c1ccc2c(c1)C(N1CCNCC1)CCO2
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)10-1-2-13-11(9-10)12(3-8-20-13)19-6-4-18-5-7-19/h1-2,9,12,18H,3-8H2
InChIKeyNRISJXNLESJHRZ-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.43
Rot. Bonds1

About 1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine

1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine (PubChem CID 70922738) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine
PubChem CID70922738
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine
SMILESFC(F)(F)c1ccc2c(c1)C(N1CCNCC1)CCO2
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)10-1-2-13-11(9-10)12(3-8-20-13)19-6-4-18-5-7-19/h1-2,9,12,18H,3-8H2
InChIKeyNRISJXNLESJHRZ-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine 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 1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine?
The IUPAC name of 1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine (CID 70922738) is 1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine.
What is the SMILES notation for 1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine?
The canonical SMILES for 1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine is FC(F)(F)c1ccc2c(c1)C(N1CCNCC1)CCO2.
What is the InChIKey of 1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine?
The InChIKey is NRISJXNLESJHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)10-1-2-13-11(9-10)12(3-8-20-13)19-6-4-18-5-7-19/h1-2,9,12,18H,3-8H2.
What are the key properties of 1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine?
1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine has a molecular weight of 286.30 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine is sourced from PubChem (CID 70922738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).