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

C7H11F — CID 14191089

IUPAC(4E)-3-fluoro-2-methylhexa-2,4-diene
SMILESC/C=C/C(F)=C(C)C
InChIInChI=1S/C7H11F/c1-4-5-7(8)6(2)3/h4-5H,1-3H3/b5-4+
InChIKeyMXDPRDYRFBRNDL-SNAWJCMRSA-N
MW114.16 g/mol
LogP2.83
Rot. Bonds1

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

(4E)-3-fluoro-2-methylhexa-2,4-diene (PubChem CID 14191089) has the molecular formula C7H11F and a molecular weight of 114.16 g/mol. Its IUPAC name is (4E)-3-fluoro-2-methylhexa-2,4-diene.

Molecular Properties

Compound Name(4E)-3-fluoro-2-methylhexa-2,4-diene
PubChem CID14191089
Molecular FormulaC7H11F
Molecular Weight114.16 g/mol
Exact Mass114.08
IUPAC Name(4E)-3-fluoro-2-methylhexa-2,4-diene
SMILESC/C=C/C(F)=C(C)C
InChIInChI=1S/C7H11F/c1-4-5-7(8)6(2)3/h4-5H,1-3H3/b5-4+
InChIKeyMXDPRDYRFBRNDL-SNAWJCMRSA-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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Frequently Asked Questions

What is the IUPAC name of (4E)-3-fluoro-2-methylhexa-2,4-diene?
The IUPAC name of (4E)-3-fluoro-2-methylhexa-2,4-diene (CID 14191089) is (4E)-3-fluoro-2-methylhexa-2,4-diene.
What is the SMILES notation for (4E)-3-fluoro-2-methylhexa-2,4-diene?
The canonical SMILES for (4E)-3-fluoro-2-methylhexa-2,4-diene is C/C=C/C(F)=C(C)C.
What is the InChIKey of (4E)-3-fluoro-2-methylhexa-2,4-diene?
The InChIKey is MXDPRDYRFBRNDL-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H11F/c1-4-5-7(8)6(2)3/h4-5H,1-3H3/b5-4+.
What are the key properties of (4E)-3-fluoro-2-methylhexa-2,4-diene?
(4E)-3-fluoro-2-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 (4E)-3-fluoro-2-methylhexa-2,4-diene is sourced from PubChem (CID 14191089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).