ethane;(3Z)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexa-1,3,5-trien-3-amine

C14H24F3N3 — CID 156796792

IUPACethane;(3Z)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexa-1,3,5-trien-3-amine
SMILESC=C/C(N)=C(\C=C)N1CCN(CC(F)(F)F)CC1.CC
InChIInChI=1S/C12H18F3N3.C2H6/c1-3-10(16)11(4-2)18-7-5-17(6-8-18)9-12(13,14)15;1-2/h3-4H,1-2,5-9,16H2;1-2H3/b11-10-;
InChIKeyWIGVFIHYSXDETD-GMFCBQQYSA-N
MW291.36 g/mol
LogP2.73
Rot. Bonds4

About ethane;(3Z)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexa-1,3,5-trien-3-amine

ethane;(3Z)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexa-1,3,5-trien-3-amine (PubChem CID 156796792) has the molecular formula C14H24F3N3 and a molecular weight of 291.36 g/mol. Its IUPAC name is ethane;(3Z)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Nameethane;(3Z)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexa-1,3,5-trien-3-amine
PubChem CID156796792
Molecular FormulaC14H24F3N3
Molecular Weight291.36 g/mol
Exact Mass291.19
IUPAC Nameethane;(3Z)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexa-1,3,5-trien-3-amine
SMILESC=C/C(N)=C(\C=C)N1CCN(CC(F)(F)F)CC1.CC
InChIInChI=1S/C12H18F3N3.C2H6/c1-3-10(16)11(4-2)18-7-5-17(6-8-18)9-12(13,14)15;1-2/h3-4H,1-2,5-9,16H2;1-2H3/b11-10-;
InChIKeyWIGVFIHYSXDETD-GMFCBQQYSA-N
XLogP2.73
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;(3Z)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexa-1,3,5-trien-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N,1-dimethyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine
CID 122640398
1-(4-Fluorohexa-2,4-dien-3-yl)piperazine
CID 123849712
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 143054402
1-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-4-methylpiperazine
CID 144995646
(2Z,4Z)-2-(4,4-difluoropiperidin-1-yl)hepta-2,4,6-trien-3-amine
CID 156371502
(3Z,5Z)-3-(4,4-difluoropiperidin-1-yl)hepta-1,3,5-trien-4-amine
CID 163241437
1-ethyl-3-N-methyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine
CID 174868865
1-[6-(difluoromethyl)-1-methyl-2H-pyridin-5-yl]piperazine
CID 175963246
1-(6-fluoro-1-methyl-2H-pyridin-5-yl)piperazine
CID 176689340
(3Z)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexa-1,3,5-trien-3-amine
CID 156796793
(2E,4E,6Z)-4,7-difluoro-6-(4-methylpiperazin-1-yl)hepta-2,4,6-trien-3-amine
CID 164568417
1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]piperazine
CID 176931848

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexa-1,3,5-trien-3-amine?
The IUPAC name of ethane;(3Z)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexa-1,3,5-trien-3-amine (CID 156796792) is ethane;(3Z)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexa-1,3,5-trien-3-amine.
What is the SMILES notation for ethane;(3Z)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexa-1,3,5-trien-3-amine?
The canonical SMILES for ethane;(3Z)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexa-1,3,5-trien-3-amine is C=C/C(N)=C(\C=C)N1CCN(CC(F)(F)F)CC1.CC.
What is the InChIKey of ethane;(3Z)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexa-1,3,5-trien-3-amine?
The InChIKey is WIGVFIHYSXDETD-GMFCBQQYSA-N. The full InChI is InChI=1S/C12H18F3N3.C2H6/c1-3-10(16)11(4-2)18-7-5-17(6-8-18)9-12(13,14)15;1-2/h3-4H,1-2,5-9,16H2;1-2H3/b11-10-;.
What are the key properties of ethane;(3Z)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexa-1,3,5-trien-3-amine?
ethane;(3Z)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexa-1,3,5-trien-3-amine has a molecular weight of 291.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexa-1,3,5-trien-3-amine is sourced from PubChem (CID 156796792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).