(4E,5Z)-4-ethylidene-7-fluoro-3-(4-fluorophenyl)-3-phenylhepta-1,5-dien-2-amine

C21H21F2N — CID 143497252

IUPAC(4E,5Z)-4-ethylidene-7-fluoro-3-(4-fluorophenyl)-3-phenylhepta-1,5-dien-2-amine
SMILESC=C(N)C(C(/C=C\CF)=C/C)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H21F2N/c1-3-17(10-7-15-22)21(16(2)24,18-8-5-4-6-9-18)19-11-13-20(23)14-12-19/h3-14H,2,15,24H2,1H3/b10-7-,17-3+
InChIKeyZALNTBNDGQVKSL-MEJZVGGQSA-N
MW325.40 g/mol
LogP5.06
Rot. Bonds6

About (4E,5Z)-4-ethylidene-7-fluoro-3-(4-fluorophenyl)-3-phenylhepta-1,5-dien-2-amine

(4E,5Z)-4-ethylidene-7-fluoro-3-(4-fluorophenyl)-3-phenylhepta-1,5-dien-2-amine (PubChem CID 143497252) has the molecular formula C21H21F2N and a molecular weight of 325.40 g/mol. Its IUPAC name is (4E,5Z)-4-ethylidene-7-fluoro-3-(4-fluorophenyl)-3-phenylhepta-1,5-dien-2-amine.

Molecular Properties

Compound Name(4E,5Z)-4-ethylidene-7-fluoro-3-(4-fluorophenyl)-3-phenylhepta-1,5-dien-2-amine
PubChem CID143497252
Molecular FormulaC21H21F2N
Molecular Weight325.40 g/mol
Exact Mass325.16
IUPAC Name(4E,5Z)-4-ethylidene-7-fluoro-3-(4-fluorophenyl)-3-phenylhepta-1,5-dien-2-amine
SMILESC=C(N)C(C(/C=C\CF)=C/C)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H21F2N/c1-3-17(10-7-15-22)21(16(2)24,18-8-5-4-6-9-18)19-11-13-20(23)14-12-19/h3-14H,2,15,24H2,1H3/b10-7-,17-3+
InChIKeyZALNTBNDGQVKSL-MEJZVGGQSA-N
XLogP5.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.40
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4E,5Z)-4-ethylidene-7-fluoro-3-(4-fluorophenyl)-3-phenylhepta-1,5-dien-2-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

(2R)-3,3-bis(3-fluorophenyl)-2-methylpropan-1-amine
CID 9860006
(1-(4-Fluorophenyl)cyclohexyl)methanamine
CID 20110059
(2S)-4,4-bis(3-fluorophenyl)butan-2-amine
CID 9796261
(2S)-3,3-bis(3-fluorophenyl)-2-methylpropan-1-amine
CID 10038285
4,4-Bis(3-fluorophenyl)butan-2-amine
CID 22708376
[1-(3-Fluorophenyl)cyclohexyl]methanamine
CID 20110060
(2R)-4,4-bis(3-fluorophenyl)butan-2-amine
CID 44317460
[1-[4-(3,5-Difluorophenyl)phenyl]cyclohexyl]methanamine
CID 68673528
1-[1-(3,4-Difluorophenyl)cyclohexyl]methanamine
CID 58954819
3,3-Bis(3-fluorophenyl)-2-methylpropan-1-amine
CID 22708366
1-[(4-Fluorophenyl)methyl]cyclohexan-1-amine
CID 24259229
2-Amino-4,6-bis(4-fluorophenyl)-6-methylcyclohexa-1,3-diene-1-carbonitrile
CID 44449224

Frequently Asked Questions

What is the IUPAC name of (4E,5Z)-4-ethylidene-7-fluoro-3-(4-fluorophenyl)-3-phenylhepta-1,5-dien-2-amine?
The IUPAC name of (4E,5Z)-4-ethylidene-7-fluoro-3-(4-fluorophenyl)-3-phenylhepta-1,5-dien-2-amine (CID 143497252) is (4E,5Z)-4-ethylidene-7-fluoro-3-(4-fluorophenyl)-3-phenylhepta-1,5-dien-2-amine.
What is the SMILES notation for (4E,5Z)-4-ethylidene-7-fluoro-3-(4-fluorophenyl)-3-phenylhepta-1,5-dien-2-amine?
The canonical SMILES for (4E,5Z)-4-ethylidene-7-fluoro-3-(4-fluorophenyl)-3-phenylhepta-1,5-dien-2-amine is C=C(N)C(C(/C=C\CF)=C/C)(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (4E,5Z)-4-ethylidene-7-fluoro-3-(4-fluorophenyl)-3-phenylhepta-1,5-dien-2-amine?
The InChIKey is ZALNTBNDGQVKSL-MEJZVGGQSA-N. The full InChI is InChI=1S/C21H21F2N/c1-3-17(10-7-15-22)21(16(2)24,18-8-5-4-6-9-18)19-11-13-20(23)14-12-19/h3-14H,2,15,24H2,1H3/b10-7-,17-3+.
What are the key properties of (4E,5Z)-4-ethylidene-7-fluoro-3-(4-fluorophenyl)-3-phenylhepta-1,5-dien-2-amine?
(4E,5Z)-4-ethylidene-7-fluoro-3-(4-fluorophenyl)-3-phenylhepta-1,5-dien-2-amine has a molecular weight of 325.40 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5Z)-4-ethylidene-7-fluoro-3-(4-fluorophenyl)-3-phenylhepta-1,5-dien-2-amine is sourced from PubChem (CID 143497252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).