(1Z,3Z)-2-ethylidene-5-fluoro-1-[4-methyl-1-(2,2,2-trifluoroethyl)piperazin-2-ylidene]hexa-3,5-dien-1-amine

C15H21F4N3 — CID 143807636

IUPAC(1Z,3Z)-2-ethylidene-5-fluoro-1-[4-methyl-1-(2,2,2-trifluoroethyl)piperazin-2-ylidene]hexa-3,5-dien-1-amine
SMILESC=C(F)/C=C\C(=CC)/C(N)=C1\CN(C)CCN1CC(F)(F)F
InChIInChI=1S/C15H21F4N3/c1-4-12(6-5-11(2)16)14(20)13-9-21(3)7-8-22(13)10-15(17,18)19/h4-6H,2,7-10,20H2,1,3H3/b6-5-,12-4?,14-13-
InChIKeyZOXNHJRQMSEUSX-QDQOAYBWSA-N
MW319.35 g/mol
LogP2.95
Rot. Bonds4

About (1Z,3Z)-2-ethylidene-5-fluoro-1-[4-methyl-1-(2,2,2-trifluoroethyl)piperazin-2-ylidene]hexa-3,5-dien-1-amine

(1Z,3Z)-2-ethylidene-5-fluoro-1-[4-methyl-1-(2,2,2-trifluoroethyl)piperazin-2-ylidene]hexa-3,5-dien-1-amine (PubChem CID 143807636) has the molecular formula C15H21F4N3 and a molecular weight of 319.35 g/mol. Its IUPAC name is (1Z,3Z)-2-ethylidene-5-fluoro-1-[4-methyl-1-(2,2,2-trifluoroethyl)piperazin-2-ylidene]hexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-2-ethylidene-5-fluoro-1-[4-methyl-1-(2,2,2-trifluoroethyl)piperazin-2-ylidene]hexa-3,5-dien-1-amine
PubChem CID143807636
Molecular FormulaC15H21F4N3
Molecular Weight319.35 g/mol
Exact Mass319.17
IUPAC Name(1Z,3Z)-2-ethylidene-5-fluoro-1-[4-methyl-1-(2,2,2-trifluoroethyl)piperazin-2-ylidene]hexa-3,5-dien-1-amine
SMILESC=C(F)/C=C\C(=CC)/C(N)=C1\CN(C)CCN1CC(F)(F)F
InChIInChI=1S/C15H21F4N3/c1-4-12(6-5-11(2)16)14(20)13-9-21(3)7-8-22(13)10-15(17,18)19/h4-6H,2,7-10,20H2,1,3H3/b6-5-,12-4?,14-13-
InChIKeyZOXNHJRQMSEUSX-QDQOAYBWSA-N
XLogP2.95
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-2-ethylidene-5-fluoro-1-[4-methyl-1-(2,2,2-trifluoroethyl)piperazin-2-ylidene]hexa-3,5-dien-1-amine?
The IUPAC name of (1Z,3Z)-2-ethylidene-5-fluoro-1-[4-methyl-1-(2,2,2-trifluoroethyl)piperazin-2-ylidene]hexa-3,5-dien-1-amine (CID 143807636) is (1Z,3Z)-2-ethylidene-5-fluoro-1-[4-methyl-1-(2,2,2-trifluoroethyl)piperazin-2-ylidene]hexa-3,5-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-2-ethylidene-5-fluoro-1-[4-methyl-1-(2,2,2-trifluoroethyl)piperazin-2-ylidene]hexa-3,5-dien-1-amine?
The canonical SMILES for (1Z,3Z)-2-ethylidene-5-fluoro-1-[4-methyl-1-(2,2,2-trifluoroethyl)piperazin-2-ylidene]hexa-3,5-dien-1-amine is C=C(F)/C=C\C(=CC)/C(N)=C1\CN(C)CCN1CC(F)(F)F.
What is the InChIKey of (1Z,3Z)-2-ethylidene-5-fluoro-1-[4-methyl-1-(2,2,2-trifluoroethyl)piperazin-2-ylidene]hexa-3,5-dien-1-amine?
The InChIKey is ZOXNHJRQMSEUSX-QDQOAYBWSA-N. The full InChI is InChI=1S/C15H21F4N3/c1-4-12(6-5-11(2)16)14(20)13-9-21(3)7-8-22(13)10-15(17,18)19/h4-6H,2,7-10,20H2,1,3H3/b6-5-,12-4?,14-13-.
What are the key properties of (1Z,3Z)-2-ethylidene-5-fluoro-1-[4-methyl-1-(2,2,2-trifluoroethyl)piperazin-2-ylidene]hexa-3,5-dien-1-amine?
(1Z,3Z)-2-ethylidene-5-fluoro-1-[4-methyl-1-(2,2,2-trifluoroethyl)piperazin-2-ylidene]hexa-3,5-dien-1-amine has a molecular weight of 319.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-2-ethylidene-5-fluoro-1-[4-methyl-1-(2,2,2-trifluoroethyl)piperazin-2-ylidene]hexa-3,5-dien-1-amine is sourced from PubChem (CID 143807636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).