(E,2R)-5-ethyl-1-fluoro-2,4,7-trimethylnon-4-ene

C14H27F — CID 89247478

IUPAC(E,2R)-5-ethyl-1-fluoro-2,4,7-trimethylnon-4-ene
SMILESCC/C(CC(C)CC)=C(/C)C[C@@H](C)CF
InChIInChI=1S/C14H27F/c1-6-11(3)9-14(7-2)13(5)8-12(4)10-15/h11-12H,6-10H2,1-5H3/b14-13+/t11?,12-/m1/s1
InChIKeyKOIOLGQLNZUHDC-MVEBOZKVSA-N
MW214.37 g/mol
LogP5.14
Rot. Bonds7

About (E,2R)-5-ethyl-1-fluoro-2,4,7-trimethylnon-4-ene

(E,2R)-5-ethyl-1-fluoro-2,4,7-trimethylnon-4-ene (PubChem CID 89247478) has the molecular formula C14H27F and a molecular weight of 214.37 g/mol. Its IUPAC name is (E,2R)-5-ethyl-1-fluoro-2,4,7-trimethylnon-4-ene.

Molecular Properties

Compound Name(E,2R)-5-ethyl-1-fluoro-2,4,7-trimethylnon-4-ene
PubChem CID89247478
Molecular FormulaC14H27F
Molecular Weight214.37 g/mol
Exact Mass214.21
IUPAC Name(E,2R)-5-ethyl-1-fluoro-2,4,7-trimethylnon-4-ene
SMILESCC/C(CC(C)CC)=C(/C)C[C@@H](C)CF
InChIInChI=1S/C14H27F/c1-6-11(3)9-14(7-2)13(5)8-12(4)10-15/h11-12H,6-10H2,1-5H3/b14-13+/t11?,12-/m1/s1
InChIKeyKOIOLGQLNZUHDC-MVEBOZKVSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.37
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,2R)-5-ethyl-1-fluoro-2,4,7-trimethylnon-4-ene?
The IUPAC name of (E,2R)-5-ethyl-1-fluoro-2,4,7-trimethylnon-4-ene (CID 89247478) is (E,2R)-5-ethyl-1-fluoro-2,4,7-trimethylnon-4-ene.
What is the SMILES notation for (E,2R)-5-ethyl-1-fluoro-2,4,7-trimethylnon-4-ene?
The canonical SMILES for (E,2R)-5-ethyl-1-fluoro-2,4,7-trimethylnon-4-ene is CC/C(CC(C)CC)=C(/C)C[C@@H](C)CF.
What is the InChIKey of (E,2R)-5-ethyl-1-fluoro-2,4,7-trimethylnon-4-ene?
The InChIKey is KOIOLGQLNZUHDC-MVEBOZKVSA-N. The full InChI is InChI=1S/C14H27F/c1-6-11(3)9-14(7-2)13(5)8-12(4)10-15/h11-12H,6-10H2,1-5H3/b14-13+/t11?,12-/m1/s1.
What are the key properties of (E,2R)-5-ethyl-1-fluoro-2,4,7-trimethylnon-4-ene?
(E,2R)-5-ethyl-1-fluoro-2,4,7-trimethylnon-4-ene has a molecular weight of 214.37 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-5-ethyl-1-fluoro-2,4,7-trimethylnon-4-ene is sourced from PubChem (CID 89247478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).