1-[6-fluoro-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]piperazine

C12H16F4N2O — CID 150594851

IUPAC1-[6-fluoro-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]piperazine
SMILESFC(F)(F)COC1(F)C=CC=CC1N1CCNCC1
InChIInChI=1S/C12H16F4N2O/c13-11(19-9-12(14,15)16)4-2-1-3-10(11)18-7-5-17-6-8-18/h1-4,10,17H,5-9H2
InChIKeyIQQBDWXQNIBAHC-UHFFFAOYSA-N
MW280.27 g/mol
LogP1.63
Rot. Bonds3

About 1-[6-fluoro-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]piperazine

1-[6-fluoro-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]piperazine (PubChem CID 150594851) has the molecular formula C12H16F4N2O and a molecular weight of 280.27 g/mol. Its IUPAC name is 1-[6-fluoro-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]piperazine.

Molecular Properties

Compound Name1-[6-fluoro-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]piperazine
PubChem CID150594851
Molecular FormulaC12H16F4N2O
Molecular Weight280.27 g/mol
Exact Mass280.12
IUPAC Name1-[6-fluoro-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]piperazine
SMILESFC(F)(F)COC1(F)C=CC=CC1N1CCNCC1
InChIInChI=1S/C12H16F4N2O/c13-11(19-9-12(14,15)16)4-2-1-3-10(11)18-7-5-17-6-8-18/h1-4,10,17H,5-9H2
InChIKeyIQQBDWXQNIBAHC-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(Trifluoromethoxy)cyclohexa-2,4-dien-1-yl]piperazine
CID 67274392
(3R,5S)-3,5-dimethyl-1-[[4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methyl]piperazine
CID 71085155
1-[4-(2-Fluoroethoxymethyl)cyclohexa-2,4-dien-1-yl]piperazine
CID 123659977
1-(2,6-Difluoro-4-propan-2-yloxycyclohexa-2,4-dien-1-yl)piperazine
CID 139566334
7-fluoro-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine
CID 166944297
6-(4-Ethylpiperazin-1-yl)-6-methoxycyclohexa-2,4-dien-1-amine
CID 118296266
1-(6-Methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 141787665

Frequently Asked Questions

What is the IUPAC name of 1-[6-fluoro-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]piperazine?
The IUPAC name of 1-[6-fluoro-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]piperazine (CID 150594851) is 1-[6-fluoro-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]piperazine.
What is the SMILES notation for 1-[6-fluoro-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]piperazine?
The canonical SMILES for 1-[6-fluoro-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]piperazine is FC(F)(F)COC1(F)C=CC=CC1N1CCNCC1.
What is the InChIKey of 1-[6-fluoro-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]piperazine?
The InChIKey is IQQBDWXQNIBAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N2O/c13-11(19-9-12(14,15)16)4-2-1-3-10(11)18-7-5-17-6-8-18/h1-4,10,17H,5-9H2.
What are the key properties of 1-[6-fluoro-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]piperazine?
1-[6-fluoro-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]piperazine has a molecular weight of 280.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-fluoro-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]piperazine is sourced from PubChem (CID 150594851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).