(Z,Z)-N-(1-fluoro-2-methylprop-1-enyl)-2-phenylbut-2-en-1-imine

C14H16FN — CID 155722490

IUPAC(Z,Z)-N-(1-fluoro-2-methylprop-1-enyl)-2-phenylbut-2-en-1-imine
SMILESC/C=C(\C=N/C(F)=C(C)C)c1ccccc1
InChIInChI=1S/C14H16FN/c1-4-12(10-16-14(15)11(2)3)13-8-6-5-7-9-13/h4-10H,1-3H3/b12-4+,16-10-
InChIKeyIPQLOZOKYMBYRM-IEYUNWHNSA-N
MW217.29 g/mol
LogP4.38
Rot. Bonds3

About (Z,Z)-N-(1-fluoro-2-methylprop-1-enyl)-2-phenylbut-2-en-1-imine

(Z,Z)-N-(1-fluoro-2-methylprop-1-enyl)-2-phenylbut-2-en-1-imine (PubChem CID 155722490) has the molecular formula C14H16FN and a molecular weight of 217.29 g/mol. Its IUPAC name is (Z,Z)-N-(1-fluoro-2-methylprop-1-enyl)-2-phenylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z,Z)-N-(1-fluoro-2-methylprop-1-enyl)-2-phenylbut-2-en-1-imine
PubChem CID155722490
Molecular FormulaC14H16FN
Molecular Weight217.29 g/mol
Exact Mass217.13
IUPAC Name(Z,Z)-N-(1-fluoro-2-methylprop-1-enyl)-2-phenylbut-2-en-1-imine
SMILESC/C=C(\C=N/C(F)=C(C)C)c1ccccc1
InChIInChI=1S/C14H16FN/c1-4-12(10-16-14(15)11(2)3)13-8-6-5-7-9-13/h4-10H,1-3H3/b12-4+,16-10-
InChIKeyIPQLOZOKYMBYRM-IEYUNWHNSA-N
XLogP4.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z,Z)-N-(1-fluoro-2-methylprop-1-enyl)-2-phenylbut-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

[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]benzene
CID 131995426
(2E,4Z)-2-methyl-4-phenylhexa-2,4-dienoic acid
CID 170872983
methylidene-[(2E,4E)-4-phenylhexa-2,4-dien-2-yl]phosphane
CID 163826949
2-phenylbut-2-enal;hydrate
CID 172778769
(Z)-2-phenylbut-2-en-1-imine;propane
CID 166165004
N'-[(1E,3E)-1-chloro-3-phenylpenta-1,3-dienyl]benzenecarboximidamide
CID 174108934
(E)-N-(4-nitrophenyl)-2-phenylbut-2-en-1-imine
CID 177420573
2-fluoro-1-phenylprop-1-en-1-ol
CID 164853949
N-hydroxy-2-phenyl-2-[4-[1-[(Z)-[(Z)-2-phenylbut-2-enylidene]amino]ethenyl]piperazin-1-yl]acetamide
CID 145487474
[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 12628363
(Z)-N-ethyl-2-phenylpent-2-en-1-imine
CID 143898078
4-phenylhexa-2,4-dien-3-ylbenzene
CID 2802592

Frequently Asked Questions

What is the IUPAC name of (Z,Z)-N-(1-fluoro-2-methylprop-1-enyl)-2-phenylbut-2-en-1-imine?
The IUPAC name of (Z,Z)-N-(1-fluoro-2-methylprop-1-enyl)-2-phenylbut-2-en-1-imine (CID 155722490) is (Z,Z)-N-(1-fluoro-2-methylprop-1-enyl)-2-phenylbut-2-en-1-imine.
What is the SMILES notation for (Z,Z)-N-(1-fluoro-2-methylprop-1-enyl)-2-phenylbut-2-en-1-imine?
The canonical SMILES for (Z,Z)-N-(1-fluoro-2-methylprop-1-enyl)-2-phenylbut-2-en-1-imine is C/C=C(\C=N/C(F)=C(C)C)c1ccccc1.
What is the InChIKey of (Z,Z)-N-(1-fluoro-2-methylprop-1-enyl)-2-phenylbut-2-en-1-imine?
The InChIKey is IPQLOZOKYMBYRM-IEYUNWHNSA-N. The full InChI is InChI=1S/C14H16FN/c1-4-12(10-16-14(15)11(2)3)13-8-6-5-7-9-13/h4-10H,1-3H3/b12-4+,16-10-.
What are the key properties of (Z,Z)-N-(1-fluoro-2-methylprop-1-enyl)-2-phenylbut-2-en-1-imine?
(Z,Z)-N-(1-fluoro-2-methylprop-1-enyl)-2-phenylbut-2-en-1-imine has a molecular weight of 217.29 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,Z)-N-(1-fluoro-2-methylprop-1-enyl)-2-phenylbut-2-en-1-imine is sourced from PubChem (CID 155722490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).