1-[(Z,2Z)-2-ethylidenehex-3-enyl]-4-fluorocyclohexa-1,3-diene

C14H19F — CID 173495774

IUPAC1-[(Z,2Z)-2-ethylidenehex-3-enyl]-4-fluorocyclohexa-1,3-diene
SMILESC/C=C(\C=C/CC)CC1=CC=C(F)CC1
InChIInChI=1S/C14H19F/c1-3-5-6-12(4-2)11-13-7-9-14(15)10-8-13/h4-7,9H,3,8,10-11H2,1-2H3/b6-5-,12-4+
InChIKeyIYLDMUCFVIDUFM-JWUPWDRQSA-N
MW206.30 g/mol
LogP4.86
Rot. Bonds4

About 1-[(Z,2Z)-2-ethylidenehex-3-enyl]-4-fluorocyclohexa-1,3-diene

1-[(Z,2Z)-2-ethylidenehex-3-enyl]-4-fluorocyclohexa-1,3-diene (PubChem CID 173495774) has the molecular formula C14H19F and a molecular weight of 206.30 g/mol. Its IUPAC name is 1-[(Z,2Z)-2-ethylidenehex-3-enyl]-4-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name1-[(Z,2Z)-2-ethylidenehex-3-enyl]-4-fluorocyclohexa-1,3-diene
PubChem CID173495774
Molecular FormulaC14H19F
Molecular Weight206.30 g/mol
Exact Mass206.15
IUPAC Name1-[(Z,2Z)-2-ethylidenehex-3-enyl]-4-fluorocyclohexa-1,3-diene
SMILESC/C=C(\C=C/CC)CC1=CC=C(F)CC1
InChIInChI=1S/C14H19F/c1-3-5-6-12(4-2)11-13-7-9-14(15)10-8-13/h4-7,9H,3,8,10-11H2,1-2H3/b6-5-,12-4+
InChIKeyIYLDMUCFVIDUFM-JWUPWDRQSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.30
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z,2Z)-2-ethylidenehex-3-enyl]-4-fluorocyclohexa-1,3-diene?
The IUPAC name of 1-[(Z,2Z)-2-ethylidenehex-3-enyl]-4-fluorocyclohexa-1,3-diene (CID 173495774) is 1-[(Z,2Z)-2-ethylidenehex-3-enyl]-4-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 1-[(Z,2Z)-2-ethylidenehex-3-enyl]-4-fluorocyclohexa-1,3-diene?
The canonical SMILES for 1-[(Z,2Z)-2-ethylidenehex-3-enyl]-4-fluorocyclohexa-1,3-diene is C/C=C(\C=C/CC)CC1=CC=C(F)CC1.
What is the InChIKey of 1-[(Z,2Z)-2-ethylidenehex-3-enyl]-4-fluorocyclohexa-1,3-diene?
The InChIKey is IYLDMUCFVIDUFM-JWUPWDRQSA-N. The full InChI is InChI=1S/C14H19F/c1-3-5-6-12(4-2)11-13-7-9-14(15)10-8-13/h4-7,9H,3,8,10-11H2,1-2H3/b6-5-,12-4+.
What are the key properties of 1-[(Z,2Z)-2-ethylidenehex-3-enyl]-4-fluorocyclohexa-1,3-diene?
1-[(Z,2Z)-2-ethylidenehex-3-enyl]-4-fluorocyclohexa-1,3-diene has a molecular weight of 206.30 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,2Z)-2-ethylidenehex-3-enyl]-4-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 173495774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).