7-fluoro-4-methylhepta-1,2,4-triene

C8H11F — CID 57085200

IUPAC7-fluoro-4-methylhepta-1,2,4-triene
SMILESC=C=CC(C)=CCCF
InChIInChI=1S/C8H11F/c1-3-5-8(2)6-4-7-9/h5-6H,1,4,7H2,2H3
InChIKeyFNSAMRLXGGQHBV-UHFFFAOYSA-N
MW126.17 g/mol
LogP2.63
Rot. Bonds3

About 7-fluoro-4-methylhepta-1,2,4-triene

7-fluoro-4-methylhepta-1,2,4-triene (PubChem CID 57085200) has the molecular formula C8H11F and a molecular weight of 126.17 g/mol. Its IUPAC name is 7-fluoro-4-methylhepta-1,2,4-triene.

Molecular Properties

Compound Name7-fluoro-4-methylhepta-1,2,4-triene
PubChem CID57085200
Molecular FormulaC8H11F
Molecular Weight126.17 g/mol
Exact Mass126.08
IUPAC Name7-fluoro-4-methylhepta-1,2,4-triene
SMILESC=C=CC(C)=CCCF
InChIInChI=1S/C8H11F/c1-3-5-8(2)6-4-7-9/h5-6H,1,4,7H2,2H3
InChIKeyFNSAMRLXGGQHBV-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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

(4E)-4-methylhexa-1,2,4-triene
CID 90999929
5-fluoroocta-4,6,7-trien-1-ol
CID 57248947
6-chloro-4-fluorohexa-1,2,4-triene
CID 57264476
N-[(Z)-1-fluoro-7-methyloct-3-en-5-yn-4-yl]methanimine
CID 174294795
fluoroethane;3-methylbuta-1,2-diene
CID 143722079
(3E,11Z)-3,12-dimethyltetradeca-1,3,11,13-tetraene
CID 142629908
4-ethyl-8-methylnona-1,2,4-triene
CID 123826807
2,6-dimethylocta-1,5,7-trien-1-ol
CID 176884331
5-chloro-N-methyl-2-propa-1,2-dienylhexa-2,4-dien-1-amine
CID 123567614
1-fluoropropane;propa-1,2-diene
CID 174917673
2-methylimino-5-[(2E,4Z)-5-methylocta-2,4,6,7-tetraen-2-yl]oxypentan-1-amine
CID 163698473
(3E)-4,6-dimethylhepta-3,5-dien-1-amine
CID 131406704

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methylhepta-1,2,4-triene?
The IUPAC name of 7-fluoro-4-methylhepta-1,2,4-triene (CID 57085200) is 7-fluoro-4-methylhepta-1,2,4-triene.
What is the SMILES notation for 7-fluoro-4-methylhepta-1,2,4-triene?
The canonical SMILES for 7-fluoro-4-methylhepta-1,2,4-triene is C=C=CC(C)=CCCF.
What is the InChIKey of 7-fluoro-4-methylhepta-1,2,4-triene?
The InChIKey is FNSAMRLXGGQHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F/c1-3-5-8(2)6-4-7-9/h5-6H,1,4,7H2,2H3.
What are the key properties of 7-fluoro-4-methylhepta-1,2,4-triene?
7-fluoro-4-methylhepta-1,2,4-triene has a molecular weight of 126.17 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methylhepta-1,2,4-triene is sourced from PubChem (CID 57085200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).