(2Z,4E)-4-fluoro-1-propoxyhexa-2,4-diene

C9H15FO — CID 143106807

IUPAC(2Z,4E)-4-fluoro-1-propoxyhexa-2,4-diene
SMILESC/C=C(F)\C=C/COCCC
InChIInChI=1S/C9H15FO/c1-3-7-11-8-5-6-9(10)4-2/h4-6H,3,7-8H2,1-2H3/b6-5-,9-4+
InChIKeyPDWWDSGTVAUHHT-CXBDEZGUSA-N
MW158.22 g/mol
LogP2.84
Rot. Bonds5

About (2Z,4E)-4-fluoro-1-propoxyhexa-2,4-diene

(2Z,4E)-4-fluoro-1-propoxyhexa-2,4-diene (PubChem CID 143106807) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is (2Z,4E)-4-fluoro-1-propoxyhexa-2,4-diene.

Molecular Properties

Compound Name(2Z,4E)-4-fluoro-1-propoxyhexa-2,4-diene
PubChem CID143106807
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name(2Z,4E)-4-fluoro-1-propoxyhexa-2,4-diene
SMILESC/C=C(F)\C=C/COCCC
InChIInChI=1S/C9H15FO/c1-3-7-11-8-5-6-9(10)4-2/h4-6H,3,7-8H2,1-2H3/b6-5-,9-4+
InChIKeyPDWWDSGTVAUHHT-CXBDEZGUSA-N
XLogP2.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-fluoro-1-propoxyhexa-2,4-diene?
The IUPAC name of (2Z,4E)-4-fluoro-1-propoxyhexa-2,4-diene (CID 143106807) is (2Z,4E)-4-fluoro-1-propoxyhexa-2,4-diene.
What is the SMILES notation for (2Z,4E)-4-fluoro-1-propoxyhexa-2,4-diene?
The canonical SMILES for (2Z,4E)-4-fluoro-1-propoxyhexa-2,4-diene is C/C=C(F)\C=C/COCCC.
What is the InChIKey of (2Z,4E)-4-fluoro-1-propoxyhexa-2,4-diene?
The InChIKey is PDWWDSGTVAUHHT-CXBDEZGUSA-N. The full InChI is InChI=1S/C9H15FO/c1-3-7-11-8-5-6-9(10)4-2/h4-6H,3,7-8H2,1-2H3/b6-5-,9-4+.
What are the key properties of (2Z,4E)-4-fluoro-1-propoxyhexa-2,4-diene?
(2Z,4E)-4-fluoro-1-propoxyhexa-2,4-diene has a molecular weight of 158.22 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-fluoro-1-propoxyhexa-2,4-diene is sourced from PubChem (CID 143106807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).