(2E,4Z)-3-fluoro-4-methylhexa-2,4-diene

C7H11F — CID 23234291

IUPAC(2E,4Z)-3-fluoro-4-methylhexa-2,4-diene
SMILESC/C=C(C)\C(F)=C/C
InChIInChI=1S/C7H11F/c1-4-6(3)7(8)5-2/h4-5H,1-3H3/b6-4-,7-5+
InChIKeyFSLQVZXEPDHUKS-XGXWUAJZSA-N
MW114.16 g/mol
LogP2.83
Rot. Bonds1

About (2E,4Z)-3-fluoro-4-methylhexa-2,4-diene

(2E,4Z)-3-fluoro-4-methylhexa-2,4-diene (PubChem CID 23234291) has the molecular formula C7H11F and a molecular weight of 114.16 g/mol. Its IUPAC name is (2E,4Z)-3-fluoro-4-methylhexa-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-3-fluoro-4-methylhexa-2,4-diene
PubChem CID23234291
Molecular FormulaC7H11F
Molecular Weight114.16 g/mol
Exact Mass114.08
IUPAC Name(2E,4Z)-3-fluoro-4-methylhexa-2,4-diene
SMILESC/C=C(C)\C(F)=C/C
InChIInChI=1S/C7H11F/c1-4-6(3)7(8)5-2/h4-5H,1-3H3/b6-4-,7-5+
InChIKeyFSLQVZXEPDHUKS-XGXWUAJZSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.16
LogP ≤ 52.83
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

2,4-Hexadiene, 3-methyl-
CID 5367612
1,3-Pentadiene, 2-methyl-
CID 14238
Dimethylhexadiene
CID 6365525
2,4-Dimethylpenta-1,3-diene
CID 66080
(3E)-2-Methyl-1,3-pentadiene
CID 638070
Cosmene
CID 5368451
2-Methylcyclopentadiene
CID 138026
1,3,5-Hexatriene, 2-methyl-, (E)-
CID 5367392
2,4-Hexadiene, 3,4-dimethyl-, (E,Z)-
CID 5368977
(E,E)-2,4-Hexadiene, 3,4-dimethyl-
CID 5462959
(E)-2,4-Hexadiene, 2,4-dimethyl-
CID 5463557
3-Methylhexa-2,4-diene
CID 120063

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-fluoro-4-methylhexa-2,4-diene?
The IUPAC name of (2E,4Z)-3-fluoro-4-methylhexa-2,4-diene (CID 23234291) is (2E,4Z)-3-fluoro-4-methylhexa-2,4-diene.
What is the SMILES notation for (2E,4Z)-3-fluoro-4-methylhexa-2,4-diene?
The canonical SMILES for (2E,4Z)-3-fluoro-4-methylhexa-2,4-diene is C/C=C(C)\C(F)=C/C.
What is the InChIKey of (2E,4Z)-3-fluoro-4-methylhexa-2,4-diene?
The InChIKey is FSLQVZXEPDHUKS-XGXWUAJZSA-N. The full InChI is InChI=1S/C7H11F/c1-4-6(3)7(8)5-2/h4-5H,1-3H3/b6-4-,7-5+.
What are the key properties of (2E,4Z)-3-fluoro-4-methylhexa-2,4-diene?
(2E,4Z)-3-fluoro-4-methylhexa-2,4-diene has a molecular weight of 114.16 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-fluoro-4-methylhexa-2,4-diene is sourced from PubChem (CID 23234291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).