(3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene

C8H11F — CID 118002257

IUPAC(3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene
SMILESC=C/C=C(C)\C=C/CF
InChIInChI=1S/C8H11F/c1-3-5-8(2)6-4-7-9/h3-6H,1,7H2,2H3/b6-4-,8-5-
InChIKeyZEKXUKQAYFVGRJ-VXWIUBPCSA-N
MW126.17 g/mol
LogP2.64
Rot. Bonds3

About (3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene

(3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene (PubChem CID 118002257) has the molecular formula C8H11F and a molecular weight of 126.17 g/mol. Its IUPAC name is (3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene
PubChem CID118002257
Molecular FormulaC8H11F
Molecular Weight126.17 g/mol
Exact Mass126.08
IUPAC Name(3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene
SMILESC=C/C=C(C)\C=C/CF
InChIInChI=1S/C8H11F/c1-3-5-8(2)6-4-7-9/h3-6H,1,7H2,2H3/b6-4-,8-5-
InChIKeyZEKXUKQAYFVGRJ-VXWIUBPCSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.17
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-4-methylocta-1,3,5-triene
CID 142968936
(3Z,5Z)-7-methoxy-4-methylhepta-1,3,5-triene
CID 89381358
(3Z,5Z)-7-ethoxy-4-methylhepta-1,3,5-triene
CID 143959035
(2Z,4Z)-4-methylhepta-2,4,6-triene-1-sulfonic acid
CID 90448370
(3E)-5-fluoro-2-methylpenta-1,3-diene
CID 54095887
3-methylhexa-1,3,5-trien-1-ol
CID 173388708
(3Z,5Z)-4-ethyl-7-fluorohepta-1,3,5-triene;N-methylethanamine
CID 143750157
1-[(2Z,4E,5E)-5-[(Z)-3-fluoroprop-1-enyl]-4-prop-2-enylideneocta-2,5,7-trienyl]-4-methylcyclohexane
CID 145066099
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
4-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]morpholine
CID 143805483
3-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]piperidine
CID 143938977
fluoroform;(3Z)-3-methylhexa-1,3,5-triene
CID 142106535

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene (CID 118002257) is (3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene is C=C/C=C(C)\C=C/CF.
What is the InChIKey of (3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene?
The InChIKey is ZEKXUKQAYFVGRJ-VXWIUBPCSA-N. The full InChI is InChI=1S/C8H11F/c1-3-5-8(2)6-4-7-9/h3-6H,1,7H2,2H3/b6-4-,8-5-.
What are the key properties of (3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene?
(3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene has a molecular weight of 126.17 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene is sourced from PubChem (CID 118002257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).