ethane;N-[1-[(E)-[(4Z)-4-ethylidenepyrrolidin-3-ylidene]amino]ethenyl]-3,5-bis(trifluoromethyl)aniline

C18H21F6N3 — CID 156640634

IUPACethane;N-[1-[(E)-[(4Z)-4-ethylidenepyrrolidin-3-ylidene]amino]ethenyl]-3,5-bis(trifluoromethyl)aniline
SMILESC=C(/N=C1/CNC/C1=C/C)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC
InChIInChI=1S/C16H15F6N3.C2H6/c1-3-10-7-23-8-14(10)25-9(2)24-13-5-11(15(17,18)19)4-12(6-13)16(20,21)22;1-2/h3-6,23-24H,2,7-8H2,1H3;1-2H3/b10-3-,25-14-;
InChIKeyLCOPUOFAAMVFBF-WDHIRYEXSA-N
MW393.38 g/mol
LogP5.62
Rot. Bonds3

About ethane;N-[1-[(E)-[(4Z)-4-ethylidenepyrrolidin-3-ylidene]amino]ethenyl]-3,5-bis(trifluoromethyl)aniline

ethane;N-[1-[(E)-[(4Z)-4-ethylidenepyrrolidin-3-ylidene]amino]ethenyl]-3,5-bis(trifluoromethyl)aniline (PubChem CID 156640634) has the molecular formula C18H21F6N3 and a molecular weight of 393.38 g/mol. Its IUPAC name is ethane;N-[1-[(E)-[(4Z)-4-ethylidenepyrrolidin-3-ylidene]amino]ethenyl]-3,5-bis(trifluoromethyl)aniline.

Molecular Properties

Compound Nameethane;N-[1-[(E)-[(4Z)-4-ethylidenepyrrolidin-3-ylidene]amino]ethenyl]-3,5-bis(trifluoromethyl)aniline
PubChem CID156640634
Molecular FormulaC18H21F6N3
Molecular Weight393.38 g/mol
Exact Mass393.16
IUPAC Nameethane;N-[1-[(E)-[(4Z)-4-ethylidenepyrrolidin-3-ylidene]amino]ethenyl]-3,5-bis(trifluoromethyl)aniline
SMILESC=C(/N=C1/CNC/C1=C/C)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC
InChIInChI=1S/C16H15F6N3.C2H6/c1-3-10-7-23-8-14(10)25-9(2)24-13-5-11(15(17,18)19)4-12(6-13)16(20,21)22;1-2/h3-6,23-24H,2,7-8H2,1H3;1-2H3/b10-3-,25-14-;
InChIKeyLCOPUOFAAMVFBF-WDHIRYEXSA-N
XLogP5.62
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.38
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethane;N-[1-[(E)-[(4Z)-4-ethylidenepyrrolidin-3-ylidene]amino]ethenyl]-3,5-bis(trifluoromethyl)aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-[1-[(E)-[(4Z)-4-ethylidenepyrrolidin-3-ylidene]amino]ethenyl]-3,5-bis(trifluoromethyl)aniline?
The IUPAC name of ethane;N-[1-[(E)-[(4Z)-4-ethylidenepyrrolidin-3-ylidene]amino]ethenyl]-3,5-bis(trifluoromethyl)aniline (CID 156640634) is ethane;N-[1-[(E)-[(4Z)-4-ethylidenepyrrolidin-3-ylidene]amino]ethenyl]-3,5-bis(trifluoromethyl)aniline.
What is the SMILES notation for ethane;N-[1-[(E)-[(4Z)-4-ethylidenepyrrolidin-3-ylidene]amino]ethenyl]-3,5-bis(trifluoromethyl)aniline?
The canonical SMILES for ethane;N-[1-[(E)-[(4Z)-4-ethylidenepyrrolidin-3-ylidene]amino]ethenyl]-3,5-bis(trifluoromethyl)aniline is C=C(/N=C1/CNC/C1=C/C)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC.
What is the InChIKey of ethane;N-[1-[(E)-[(4Z)-4-ethylidenepyrrolidin-3-ylidene]amino]ethenyl]-3,5-bis(trifluoromethyl)aniline?
The InChIKey is LCOPUOFAAMVFBF-WDHIRYEXSA-N. The full InChI is InChI=1S/C16H15F6N3.C2H6/c1-3-10-7-23-8-14(10)25-9(2)24-13-5-11(15(17,18)19)4-12(6-13)16(20,21)22;1-2/h3-6,23-24H,2,7-8H2,1H3;1-2H3/b10-3-,25-14-;.
What are the key properties of ethane;N-[1-[(E)-[(4Z)-4-ethylidenepyrrolidin-3-ylidene]amino]ethenyl]-3,5-bis(trifluoromethyl)aniline?
ethane;N-[1-[(E)-[(4Z)-4-ethylidenepyrrolidin-3-ylidene]amino]ethenyl]-3,5-bis(trifluoromethyl)aniline has a molecular weight of 393.38 g/mol, XLogP of 5.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[1-[(E)-[(4Z)-4-ethylidenepyrrolidin-3-ylidene]amino]ethenyl]-3,5-bis(trifluoromethyl)aniline is sourced from PubChem (CID 156640634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).