(2E,4E)-3-[(E)-prop-1-enyl]sulfanyl-N-[(E)-4,4,4-trifluorobut-1-enyl]hepta-2,4-dien-4-amine

C14H20F3NS — CID 134384244

IUPAC(2E,4E)-3-[(E)-prop-1-enyl]sulfanyl-N-[(E)-4,4,4-trifluorobut-1-enyl]hepta-2,4-dien-4-amine
SMILESC/C=C/SC(=C/C)/C(=C\CC)N/C=C/CC(F)(F)F
InChIInChI=1S/C14H20F3NS/c1-4-8-12(13(6-3)19-11-5-2)18-10-7-9-14(15,16)17/h5-8,10-11,18H,4,9H2,1-3H3/b10-7+,11-5+,12-8+,13-6+
InChIKeyPCDLJKGYCGBSBM-HLVHXQGKSA-N
MW291.38 g/mol
LogP5.51
Rot. Bonds7

About (2E,4E)-3-[(E)-prop-1-enyl]sulfanyl-N-[(E)-4,4,4-trifluorobut-1-enyl]hepta-2,4-dien-4-amine

(2E,4E)-3-[(E)-prop-1-enyl]sulfanyl-N-[(E)-4,4,4-trifluorobut-1-enyl]hepta-2,4-dien-4-amine (PubChem CID 134384244) has the molecular formula C14H20F3NS and a molecular weight of 291.38 g/mol. Its IUPAC name is (2E,4E)-3-[(E)-prop-1-enyl]sulfanyl-N-[(E)-4,4,4-trifluorobut-1-enyl]hepta-2,4-dien-4-amine.

Molecular Properties

Compound Name(2E,4E)-3-[(E)-prop-1-enyl]sulfanyl-N-[(E)-4,4,4-trifluorobut-1-enyl]hepta-2,4-dien-4-amine
PubChem CID134384244
Molecular FormulaC14H20F3NS
Molecular Weight291.38 g/mol
Exact Mass291.13
IUPAC Name(2E,4E)-3-[(E)-prop-1-enyl]sulfanyl-N-[(E)-4,4,4-trifluorobut-1-enyl]hepta-2,4-dien-4-amine
SMILESC/C=C/SC(=C/C)/C(=C\CC)N/C=C/CC(F)(F)F
InChIInChI=1S/C14H20F3NS/c1-4-8-12(13(6-3)19-11-5-2)18-10-7-9-14(15,16)17/h5-8,10-11,18H,4,9H2,1-3H3/b10-7+,11-5+,12-8+,13-6+
InChIKeyPCDLJKGYCGBSBM-HLVHXQGKSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.38
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4E)-3-[(E)-prop-1-enyl]sulfanyl-N-[(E)-4,4,4-trifluorobut-1-enyl]hepta-2,4-dien-4-amine 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 (2E,4E)-3-[(E)-prop-1-enyl]sulfanyl-N-[(E)-4,4,4-trifluorobut-1-enyl]hepta-2,4-dien-4-amine?
The IUPAC name of (2E,4E)-3-[(E)-prop-1-enyl]sulfanyl-N-[(E)-4,4,4-trifluorobut-1-enyl]hepta-2,4-dien-4-amine (CID 134384244) is (2E,4E)-3-[(E)-prop-1-enyl]sulfanyl-N-[(E)-4,4,4-trifluorobut-1-enyl]hepta-2,4-dien-4-amine.
What is the SMILES notation for (2E,4E)-3-[(E)-prop-1-enyl]sulfanyl-N-[(E)-4,4,4-trifluorobut-1-enyl]hepta-2,4-dien-4-amine?
The canonical SMILES for (2E,4E)-3-[(E)-prop-1-enyl]sulfanyl-N-[(E)-4,4,4-trifluorobut-1-enyl]hepta-2,4-dien-4-amine is C/C=C/SC(=C/C)/C(=C\CC)N/C=C/CC(F)(F)F.
What is the InChIKey of (2E,4E)-3-[(E)-prop-1-enyl]sulfanyl-N-[(E)-4,4,4-trifluorobut-1-enyl]hepta-2,4-dien-4-amine?
The InChIKey is PCDLJKGYCGBSBM-HLVHXQGKSA-N. The full InChI is InChI=1S/C14H20F3NS/c1-4-8-12(13(6-3)19-11-5-2)18-10-7-9-14(15,16)17/h5-8,10-11,18H,4,9H2,1-3H3/b10-7+,11-5+,12-8+,13-6+.
What are the key properties of (2E,4E)-3-[(E)-prop-1-enyl]sulfanyl-N-[(E)-4,4,4-trifluorobut-1-enyl]hepta-2,4-dien-4-amine?
(2E,4E)-3-[(E)-prop-1-enyl]sulfanyl-N-[(E)-4,4,4-trifluorobut-1-enyl]hepta-2,4-dien-4-amine has a molecular weight of 291.38 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3-[(E)-prop-1-enyl]sulfanyl-N-[(E)-4,4,4-trifluorobut-1-enyl]hepta-2,4-dien-4-amine is sourced from PubChem (CID 134384244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).