(2Z,4E)-4-fluorohexa-2,4-dienethial

C6H7FS — CID 146259187

IUPAC(2Z,4E)-4-fluorohexa-2,4-dienethial
SMILESC/C=C(F)\C=C/C=S
InChIInChI=1S/C6H7FS/c1-2-6(7)4-3-5-8/h2-5H,1H3/b4-3-,6-2+
InChIKeyFSYFRFCEERYKEI-FSEBUJBSSA-N
MW130.19 g/mol
LogP2.42
Rot. Bonds2

About (2Z,4E)-4-fluorohexa-2,4-dienethial

(2Z,4E)-4-fluorohexa-2,4-dienethial (PubChem CID 146259187) has the molecular formula C6H7FS and a molecular weight of 130.19 g/mol. Its IUPAC name is (2Z,4E)-4-fluorohexa-2,4-dienethial.

Molecular Properties

Compound Name(2Z,4E)-4-fluorohexa-2,4-dienethial
PubChem CID146259187
Molecular FormulaC6H7FS
Molecular Weight130.19 g/mol
Exact Mass130.03
IUPAC Name(2Z,4E)-4-fluorohexa-2,4-dienethial
SMILESC/C=C(F)\C=C/C=S
InChIInChI=1S/C6H7FS/c1-2-6(7)4-3-5-8/h2-5H,1H3/b4-3-,6-2+
InChIKeyFSYFRFCEERYKEI-FSEBUJBSSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (2Z,4E)-4-fluorohexa-2,4-dienethial 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 (2Z,4E)-4-fluorohexa-2,4-dienethial?
The IUPAC name of (2Z,4E)-4-fluorohexa-2,4-dienethial (CID 146259187) is (2Z,4E)-4-fluorohexa-2,4-dienethial.
What is the SMILES notation for (2Z,4E)-4-fluorohexa-2,4-dienethial?
The canonical SMILES for (2Z,4E)-4-fluorohexa-2,4-dienethial is C/C=C(F)\C=C/C=S.
What is the InChIKey of (2Z,4E)-4-fluorohexa-2,4-dienethial?
The InChIKey is FSYFRFCEERYKEI-FSEBUJBSSA-N. The full InChI is InChI=1S/C6H7FS/c1-2-6(7)4-3-5-8/h2-5H,1H3/b4-3-,6-2+.
What are the key properties of (2Z,4E)-4-fluorohexa-2,4-dienethial?
(2Z,4E)-4-fluorohexa-2,4-dienethial has a molecular weight of 130.19 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-fluorohexa-2,4-dienethial is sourced from PubChem (CID 146259187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).