1-[3-(4-fluorophenyl)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine

C22H24F4N2 — CID 10810514

IUPAC1-[3-(4-fluorophenyl)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine
SMILESCC1(C)CN(C2CC(c3ccc(F)cc3)c3ccc(C(F)(F)F)cc32)CCN1
InChIInChI=1S/C22H24F4N2/c1-21(2)13-28(10-9-27-21)20-12-18(14-3-6-16(23)7-4-14)17-8-5-15(11-19(17)20)22(24,25)26/h3-8,11,18,20,27H,9-10,12-13H2,1-2H3
InChIKeyDLAZTOJTTMSVCY-UHFFFAOYSA-N
MW392.44 g/mol
LogP5.11
Rot. Bonds2

About 1-[3-(4-fluorophenyl)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine

1-[3-(4-fluorophenyl)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine (PubChem CID 10810514) has the molecular formula C22H24F4N2 and a molecular weight of 392.44 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine
PubChem CID10810514
Molecular FormulaC22H24F4N2
Molecular Weight392.44 g/mol
Exact Mass392.19
IUPAC Name1-[3-(4-fluorophenyl)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine
SMILESCC1(C)CN(C2CC(c3ccc(F)cc3)c3ccc(C(F)(F)F)cc32)CCN1
InChIInChI=1S/C22H24F4N2/c1-21(2)13-28(10-9-27-21)20-12-18(14-3-6-16(23)7-4-14)17-8-5-15(11-19(17)20)22(24,25)26/h3-8,11,18,20,27H,9-10,12-13H2,1-2H3
InChIKeyDLAZTOJTTMSVCY-UHFFFAOYSA-N
XLogP5.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.44
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine?
The IUPAC name of 1-[3-(4-fluorophenyl)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine (CID 10810514) is 1-[3-(4-fluorophenyl)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine?
The canonical SMILES for 1-[3-(4-fluorophenyl)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine is CC1(C)CN(C2CC(c3ccc(F)cc3)c3ccc(C(F)(F)F)cc32)CCN1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine?
The InChIKey is DLAZTOJTTMSVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4N2/c1-21(2)13-28(10-9-27-21)20-12-18(14-3-6-16(23)7-4-14)17-8-5-15(11-19(17)20)22(24,25)26/h3-8,11,18,20,27H,9-10,12-13H2,1-2H3.
What are the key properties of 1-[3-(4-fluorophenyl)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine?
1-[3-(4-fluorophenyl)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine has a molecular weight of 392.44 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine is sourced from PubChem (CID 10810514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).