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

C7H11F — CID 143698072

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

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

(2E,4E)-2-fluoro-4-methylhexa-2,4-diene (PubChem CID 143698072) has the molecular formula C7H11F and a molecular weight of 114.16 g/mol. Its IUPAC name is (2E,4E)-2-fluoro-4-methylhexa-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-2-fluoro-4-methylhexa-2,4-diene
PubChem CID143698072
Molecular FormulaC7H11F
Molecular Weight114.16 g/mol
Exact Mass114.08
IUPAC Name(2E,4E)-2-fluoro-4-methylhexa-2,4-diene
SMILESC/C=C(C)/C=C(\C)F
InChIInChI=1S/C7H11F/c1-4-6(2)5-7(3)8/h4-5H,1-3H3/b6-4+,7-5+
InChIKeyRXHMLHVRZCIEIN-YDFGWWAZSA-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

N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimine
CID 154931880
(3E,5Z)-3-fluoro-2,5-dimethylhepta-1,3,5-triene
CID 142210415
(2E,4Z)-2,6-difluoro-4-methylhepta-2,4-diene
CID 89318631
(2Z,4Z)-4-methylhexa-2,4-dien-2-amine
CID 126728104
4-fluoro-2-methylpenta-1,3-diene
CID 91548369
(2Z,4Z,6Z)-3,4,6-trimethylocta-2,4,6-triene
CID 142039521
2-bromo-4-methylhexa-2,4-diene
CID 76702782
(4Z,6E)-3,5-dimethylocta-2,4,6-triene
CID 144536479
(2E,4E,6E)-2,5-difluoro-4-methylocta-2,4,6-triene
CID 88928216
2,5-dimethyl-3-prop-1-en-2-ylhepta-1,3,5-triene
CID 91175342
(2E,4Z,6E)-3-fluoro-6-methylocta-2,4,6-triene
CID 134192246
4-methylhexa-2,4-diene-1,2-diol
CID 174371366

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-fluoro-4-methylhexa-2,4-diene?
The IUPAC name of (2E,4E)-2-fluoro-4-methylhexa-2,4-diene (CID 143698072) is (2E,4E)-2-fluoro-4-methylhexa-2,4-diene.
What is the SMILES notation for (2E,4E)-2-fluoro-4-methylhexa-2,4-diene?
The canonical SMILES for (2E,4E)-2-fluoro-4-methylhexa-2,4-diene is C/C=C(C)/C=C(\C)F.
What is the InChIKey of (2E,4E)-2-fluoro-4-methylhexa-2,4-diene?
The InChIKey is RXHMLHVRZCIEIN-YDFGWWAZSA-N. The full InChI is InChI=1S/C7H11F/c1-4-6(2)5-7(3)8/h4-5H,1-3H3/b6-4+,7-5+.
What are the key properties of (2E,4E)-2-fluoro-4-methylhexa-2,4-diene?
(2E,4E)-2-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,4E)-2-fluoro-4-methylhexa-2,4-diene is sourced from PubChem (CID 143698072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).