(2E,4E)-5-ethyl-1,3-difluoro-2,4,7-trimethylnona-2,4-diene

C14H24F2 — CID 89247413

IUPAC(2E,4E)-5-ethyl-1,3-difluoro-2,4,7-trimethylnona-2,4-diene
SMILESCC/C(CC(C)CC)=C(C)\C(F)=C(\C)CF
InChIInChI=1S/C14H24F2/c1-6-10(3)8-13(7-2)12(5)14(16)11(4)9-15/h10H,6-9H2,1-5H3/b13-12+,14-11+
InChIKeyMGRKLVDTIIYFJH-UIGAKZAYSA-N
MW230.34 g/mol
LogP5.36
Rot. Bonds6

About (2E,4E)-5-ethyl-1,3-difluoro-2,4,7-trimethylnona-2,4-diene

(2E,4E)-5-ethyl-1,3-difluoro-2,4,7-trimethylnona-2,4-diene (PubChem CID 89247413) has the molecular formula C14H24F2 and a molecular weight of 230.34 g/mol. Its IUPAC name is (2E,4E)-5-ethyl-1,3-difluoro-2,4,7-trimethylnona-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-5-ethyl-1,3-difluoro-2,4,7-trimethylnona-2,4-diene
PubChem CID89247413
Molecular FormulaC14H24F2
Molecular Weight230.34 g/mol
Exact Mass230.18
IUPAC Name(2E,4E)-5-ethyl-1,3-difluoro-2,4,7-trimethylnona-2,4-diene
SMILESCC/C(CC(C)CC)=C(C)\C(F)=C(\C)CF
InChIInChI=1S/C14H24F2/c1-6-10(3)8-13(7-2)12(5)14(16)11(4)9-15/h10H,6-9H2,1-5H3/b13-12+,14-11+
InChIKeyMGRKLVDTIIYFJH-UIGAKZAYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.34
LogP ≤ 55.36
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 (2E,4E)-5-ethyl-1,3-difluoro-2,4,7-trimethylnona-2,4-diene?
The IUPAC name of (2E,4E)-5-ethyl-1,3-difluoro-2,4,7-trimethylnona-2,4-diene (CID 89247413) is (2E,4E)-5-ethyl-1,3-difluoro-2,4,7-trimethylnona-2,4-diene.
What is the SMILES notation for (2E,4E)-5-ethyl-1,3-difluoro-2,4,7-trimethylnona-2,4-diene?
The canonical SMILES for (2E,4E)-5-ethyl-1,3-difluoro-2,4,7-trimethylnona-2,4-diene is CC/C(CC(C)CC)=C(C)\C(F)=C(\C)CF.
What is the InChIKey of (2E,4E)-5-ethyl-1,3-difluoro-2,4,7-trimethylnona-2,4-diene?
The InChIKey is MGRKLVDTIIYFJH-UIGAKZAYSA-N. The full InChI is InChI=1S/C14H24F2/c1-6-10(3)8-13(7-2)12(5)14(16)11(4)9-15/h10H,6-9H2,1-5H3/b13-12+,14-11+.
What are the key properties of (2E,4E)-5-ethyl-1,3-difluoro-2,4,7-trimethylnona-2,4-diene?
(2E,4E)-5-ethyl-1,3-difluoro-2,4,7-trimethylnona-2,4-diene has a molecular weight of 230.34 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-ethyl-1,3-difluoro-2,4,7-trimethylnona-2,4-diene is sourced from PubChem (CID 89247413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).