(2E)-2-fluoropenta-2,4-dienethial

C5H5FS — CID 134336197

IUPAC(2E)-2-fluoropenta-2,4-dienethial
SMILESC=C/C=C(/F)C=S
InChIInChI=1S/C5H5FS/c1-2-3-5(6)4-7/h2-4H,1H2/b5-3+
InChIKeyBQWLXEONEFKILV-HWKANZROSA-N
MW116.16 g/mol
LogP2.03
Rot. Bonds2

About (2E)-2-fluoropenta-2,4-dienethial

(2E)-2-fluoropenta-2,4-dienethial (PubChem CID 134336197) has the molecular formula C5H5FS and a molecular weight of 116.16 g/mol. Its IUPAC name is (2E)-2-fluoropenta-2,4-dienethial.

Molecular Properties

Compound Name(2E)-2-fluoropenta-2,4-dienethial
PubChem CID134336197
Molecular FormulaC5H5FS
Molecular Weight116.16 g/mol
Exact Mass116.01
IUPAC Name(2E)-2-fluoropenta-2,4-dienethial
SMILESC=C/C=C(/F)C=S
InChIInChI=1S/C5H5FS/c1-2-3-5(6)4-7/h2-4H,1H2/b5-3+
InChIKeyBQWLXEONEFKILV-HWKANZROSA-N
XLogP2.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 52.03
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'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-fluoropenta-2,4-dienethial?
The IUPAC name of (2E)-2-fluoropenta-2,4-dienethial (CID 134336197) is (2E)-2-fluoropenta-2,4-dienethial.
What is the SMILES notation for (2E)-2-fluoropenta-2,4-dienethial?
The canonical SMILES for (2E)-2-fluoropenta-2,4-dienethial is C=C/C=C(/F)C=S.
What is the InChIKey of (2E)-2-fluoropenta-2,4-dienethial?
The InChIKey is BQWLXEONEFKILV-HWKANZROSA-N. The full InChI is InChI=1S/C5H5FS/c1-2-3-5(6)4-7/h2-4H,1H2/b5-3+.
What are the key properties of (2E)-2-fluoropenta-2,4-dienethial?
(2E)-2-fluoropenta-2,4-dienethial has a molecular weight of 116.16 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-fluoropenta-2,4-dienethial is sourced from PubChem (CID 134336197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).