(5Z)-4-ethyl-5-[(Z)-3-fluoroprop-1-enyl]octa-1,5-diene

C13H21F — CID 143081217

IUPAC(5Z)-4-ethyl-5-[(Z)-3-fluoroprop-1-enyl]octa-1,5-diene
SMILESC=CCC(CC)C(/C=C\CF)=C/CC
InChIInChI=1S/C13H21F/c1-4-8-12(6-3)13(9-5-2)10-7-11-14/h4,7,9-10,12H,1,5-6,8,11H2,2-3H3/b10-7-,13-9+
InChIKeySPTVRJBLXIQVGS-JWUMZWSUSA-N
MW196.31 g/mol
LogP4.45
Rot. Bonds7

About (5Z)-4-ethyl-5-[(Z)-3-fluoroprop-1-enyl]octa-1,5-diene

(5Z)-4-ethyl-5-[(Z)-3-fluoroprop-1-enyl]octa-1,5-diene (PubChem CID 143081217) has the molecular formula C13H21F and a molecular weight of 196.31 g/mol. Its IUPAC name is (5Z)-4-ethyl-5-[(Z)-3-fluoroprop-1-enyl]octa-1,5-diene.

Molecular Properties

Compound Name(5Z)-4-ethyl-5-[(Z)-3-fluoroprop-1-enyl]octa-1,5-diene
PubChem CID143081217
Molecular FormulaC13H21F
Molecular Weight196.31 g/mol
Exact Mass196.16
IUPAC Name(5Z)-4-ethyl-5-[(Z)-3-fluoroprop-1-enyl]octa-1,5-diene
SMILESC=CCC(CC)C(/C=C\CF)=C/CC
InChIInChI=1S/C13H21F/c1-4-8-12(6-3)13(9-5-2)10-7-11-14/h4,7,9-10,12H,1,5-6,8,11H2,2-3H3/b10-7-,13-9+
InChIKeySPTVRJBLXIQVGS-JWUMZWSUSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(3-fluoroprop-1-enyl)hept-4-en-3-ol
CID 91335183
3-ethylhex-5-en-2-one
CID 58995117
(3E)-5-fluoro-2-methylpenta-1,3-diene
CID 54095887
(3S)-hex-5-en-3-ol
CID 10749148
hex-5-en-3-ol
CID 158321330
(2Z,4Z)-1-fluoro-4-propylhepta-2,4-diene
CID 143996817
4-ethyl-5-propylnona-1,5-diene
CID 173391787
5-(3-fluoroprop-1-enyl)-4-methylideneocta-2,5-diene
CID 123446720
(3E)-5-ethylocta-1,3,7-trien-4-amine
CID 134331827
(Z)-1-N,1-N,5-N,5-N-tetramethyl-4-propylidenehept-2-ene-1,5-diamine
CID 138664657
(3Z,5Z)-5-propan-2-ylocta-1,3,5-triene
CID 143760343
(3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene
CID 118002257

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-ethyl-5-[(Z)-3-fluoroprop-1-enyl]octa-1,5-diene?
The IUPAC name of (5Z)-4-ethyl-5-[(Z)-3-fluoroprop-1-enyl]octa-1,5-diene (CID 143081217) is (5Z)-4-ethyl-5-[(Z)-3-fluoroprop-1-enyl]octa-1,5-diene.
What is the SMILES notation for (5Z)-4-ethyl-5-[(Z)-3-fluoroprop-1-enyl]octa-1,5-diene?
The canonical SMILES for (5Z)-4-ethyl-5-[(Z)-3-fluoroprop-1-enyl]octa-1,5-diene is C=CCC(CC)C(/C=C\CF)=C/CC.
What is the InChIKey of (5Z)-4-ethyl-5-[(Z)-3-fluoroprop-1-enyl]octa-1,5-diene?
The InChIKey is SPTVRJBLXIQVGS-JWUMZWSUSA-N. The full InChI is InChI=1S/C13H21F/c1-4-8-12(6-3)13(9-5-2)10-7-11-14/h4,7,9-10,12H,1,5-6,8,11H2,2-3H3/b10-7-,13-9+.
What are the key properties of (5Z)-4-ethyl-5-[(Z)-3-fluoroprop-1-enyl]octa-1,5-diene?
(5Z)-4-ethyl-5-[(Z)-3-fluoroprop-1-enyl]octa-1,5-diene has a molecular weight of 196.31 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-ethyl-5-[(Z)-3-fluoroprop-1-enyl]octa-1,5-diene is sourced from PubChem (CID 143081217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).