1-[8-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine

C14H16ClF3N2O — CID 71242641

IUPAC1-[8-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine
SMILESFC(F)(F)c1ccc2c(c1Cl)OCCC2N1CCNCC1
InChIInChI=1S/C14H16ClF3N2O/c15-12-10(14(16,17)18)2-1-9-11(3-8-21-13(9)12)20-6-4-19-5-7-20/h1-2,11,19H,3-8H2
InChIKeyULGLWAGHOJCEJP-UHFFFAOYSA-N
MW320.74 g/mol
LogP3.09
Rot. Bonds1

About 1-[8-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine

1-[8-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine (PubChem CID 71242641) has the molecular formula C14H16ClF3N2O and a molecular weight of 320.74 g/mol. Its IUPAC name is 1-[8-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine.

Molecular Properties

Compound Name1-[8-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine
PubChem CID71242641
Molecular FormulaC14H16ClF3N2O
Molecular Weight320.74 g/mol
Exact Mass320.09
IUPAC Name1-[8-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine
SMILESFC(F)(F)c1ccc2c(c1Cl)OCCC2N1CCNCC1
InChIInChI=1S/C14H16ClF3N2O/c15-12-10(14(16,17)18)2-1-9-11(3-8-21-13(9)12)20-6-4-19-5-7-20/h1-2,11,19H,3-8H2
InChIKeyULGLWAGHOJCEJP-UHFFFAOYSA-N
XLogP3.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[8-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine?
The IUPAC name of 1-[8-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine (CID 71242641) is 1-[8-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine.
What is the SMILES notation for 1-[8-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine?
The canonical SMILES for 1-[8-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine is FC(F)(F)c1ccc2c(c1Cl)OCCC2N1CCNCC1.
What is the InChIKey of 1-[8-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine?
The InChIKey is ULGLWAGHOJCEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O/c15-12-10(14(16,17)18)2-1-9-11(3-8-21-13(9)12)20-6-4-19-5-7-20/h1-2,11,19H,3-8H2.
What are the key properties of 1-[8-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine?
1-[8-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine has a molecular weight of 320.74 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine is sourced from PubChem (CID 71242641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).