4-fluoro-5-methylhepta-2,4-diene

C8H13F — CID 123466906

IUPAC4-fluoro-5-methylhepta-2,4-diene
SMILESCC=CC(F)=C(C)CC
InChIInChI=1S/C8H13F/c1-4-6-8(9)7(3)5-2/h4,6H,5H2,1-3H3
InChIKeyXEYDDMYAIMODSH-UHFFFAOYSA-N
MW128.19 g/mol
LogP3.22
Rot. Bonds2

About 4-fluoro-5-methylhepta-2,4-diene

4-fluoro-5-methylhepta-2,4-diene (PubChem CID 123466906) has the molecular formula C8H13F and a molecular weight of 128.19 g/mol. Its IUPAC name is 4-fluoro-5-methylhepta-2,4-diene.

Molecular Properties

Compound Name4-fluoro-5-methylhepta-2,4-diene
PubChem CID123466906
Molecular FormulaC8H13F
Molecular Weight128.19 g/mol
Exact Mass128.10
IUPAC Name4-fluoro-5-methylhepta-2,4-diene
SMILESCC=CC(F)=C(C)CC
InChIInChI=1S/C8H13F/c1-4-6-8(9)7(3)5-2/h4,6H,5H2,1-3H3
InChIKeyXEYDDMYAIMODSH-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 53.22
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

CID 123497420
CID 123497420
(2Z,4E)-2,3-difluorohexa-2,4-diene
CID 142531595
(2E,4Z)-2,4-difluoro-5-methylhepta-2,4-diene
CID 144768900
ethyl(3-fluorohexa-2,4-dien-2-yl)borinic acid
CID 123589973
4-chloro-5-methylhepta-2,4-diene
CID 123851314
(2Z,4Z)-3-fluorohexa-2,4-diene-2-thiol
CID 167239113
4-methoxy-5-methylhepta-2,4-diene
CID 91556490
(3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene
CID 143399324
(2E,4E,6E)-3,5-difluoro-4-methylocta-2,4,6-triene
CID 88889266
(2E,4E,6E)-2,5-difluoro-4-methylocta-2,4,6-triene
CID 88928216
[(2E,4Z,6Z)-6-fluoro-7-methylnona-2,4,6-trien-2-yl]cyclobutane
CID 118946109
butan-2-one;bis((E)-pent-3-en-2-one);propan-2-one
CID 157357087

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methylhepta-2,4-diene?
The IUPAC name of 4-fluoro-5-methylhepta-2,4-diene (CID 123466906) is 4-fluoro-5-methylhepta-2,4-diene.
What is the SMILES notation for 4-fluoro-5-methylhepta-2,4-diene?
The canonical SMILES for 4-fluoro-5-methylhepta-2,4-diene is CC=CC(F)=C(C)CC.
What is the InChIKey of 4-fluoro-5-methylhepta-2,4-diene?
The InChIKey is XEYDDMYAIMODSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F/c1-4-6-8(9)7(3)5-2/h4,6H,5H2,1-3H3.
What are the key properties of 4-fluoro-5-methylhepta-2,4-diene?
4-fluoro-5-methylhepta-2,4-diene has a molecular weight of 128.19 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methylhepta-2,4-diene is sourced from PubChem (CID 123466906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).