2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine

C16H19F2N — CID 143814371

IUPAC2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine
SMILES[H]/N=C1\CCC(/C(C)=C/C=C(/F)C=C)=C1C/C=C\CF
InChIInChI=1S/C16H19F2N/c1-3-13(18)8-7-12(2)14-9-10-16(19)15(14)6-4-5-11-17/h3-5,7-8,19H,1,6,9-11H2,2H3/b5-4-,12-7+,13-8+,19-16+
InChIKeyCVAWHDPNYDWUCB-VIVXJUIHSA-N
MW263.33 g/mol
LogP5.00
Rot. Bonds6

About 2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine

2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine (PubChem CID 143814371) has the molecular formula C16H19F2N and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine.

Molecular Properties

Compound Name2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine
PubChem CID143814371
Molecular FormulaC16H19F2N
Molecular Weight263.33 g/mol
Exact Mass263.15
IUPAC Name2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine
SMILES[H]/N=C1\CCC(/C(C)=C/C=C(/F)C=C)=C1C/C=C\CF
InChIInChI=1S/C16H19F2N/c1-3-13(18)8-7-12(2)14-9-10-16(19)15(14)6-4-5-11-17/h3-5,7-8,19H,1,6,9-11H2,2H3/b5-4-,12-7+,13-8+,19-16+
InChIKeyCVAWHDPNYDWUCB-VIVXJUIHSA-N
XLogP5.00
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine 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-[[2-(2-Fluoropropan-2-yl)-4,6,7-trimethylcyclohepta-1,3,6-trien-1-yl]methylidene]hexan-2-imine
CID 91334136
8-Ethenyl-2,4-difluoro-5,12-dimethyl-3-(trifluoromethyl)tetradeca-2,4,7-trien-6-imine
CID 91463138
4-Ethyl-5-fluorohepta-4,6-dien-3-imine
CID 123295188
(3E,5Z)-3-ethylidene-5-[(E)-1-fluoroprop-1-enyl]octa-1,5,7-trien-4-imine
CID 132066393
(5E,6Z)-5-ethylidene-8-fluoro-2-methylnona-2,6,8-trien-4-imine
CID 135254636
(Z)-2,2-difluoro-7-methylidenedec-5-en-4-imine
CID 143588764
2-[(2E,4Z)-1,6-difluorohexa-2,4-dien-3-yl]-3-[(2Z,4E)-4-methylsulfanylhexa-2,4-dienyl]cyclopent-2-en-1-imine
CID 143814366
(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
CID 153399956
(3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine
CID 154987810
(2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine
CID 155049255
(4Z)-11,11-difluoro-2,12-dimethyltrideca-4,12-dien-3-imine
CID 156235984
(Z,3E)-3-but-3-enylidene-1,1-difluorooct-4-en-2-imine
CID 166811924

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine?
The IUPAC name of 2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine (CID 143814371) is 2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine.
What is the SMILES notation for 2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine?
The canonical SMILES for 2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine is [H]/N=C1\CCC(/C(C)=C/C=C(/F)C=C)=C1C/C=C\CF.
What is the InChIKey of 2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine?
The InChIKey is CVAWHDPNYDWUCB-VIVXJUIHSA-N. The full InChI is InChI=1S/C16H19F2N/c1-3-13(18)8-7-12(2)14-9-10-16(19)15(14)6-4-5-11-17/h3-5,7-8,19H,1,6,9-11H2,2H3/b5-4-,12-7+,13-8+,19-16+.
What are the key properties of 2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine?
2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine has a molecular weight of 263.33 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine is sourced from PubChem (CID 143814371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).