(E)-6-ethoxy-4-fluorohept-3-ene

C9H17FO — CID 139381526

IUPAC(E)-6-ethoxy-4-fluorohept-3-ene
SMILESCC/C=C(/F)CC(C)OCC
InChIInChI=1S/C9H17FO/c1-4-6-9(10)7-8(3)11-5-2/h6,8H,4-5,7H2,1-3H3/b9-6+
InChIKeyGRNKCPASCJIBBI-RMKNXTFCSA-N
MW160.23 g/mol
LogP3.06
Rot. Bonds5

About (E)-6-ethoxy-4-fluorohept-3-ene

(E)-6-ethoxy-4-fluorohept-3-ene (PubChem CID 139381526) has the molecular formula C9H17FO and a molecular weight of 160.23 g/mol. Its IUPAC name is (E)-6-ethoxy-4-fluorohept-3-ene.

Molecular Properties

Compound Name(E)-6-ethoxy-4-fluorohept-3-ene
PubChem CID139381526
Molecular FormulaC9H17FO
Molecular Weight160.23 g/mol
Exact Mass160.13
IUPAC Name(E)-6-ethoxy-4-fluorohept-3-ene
SMILESCC/C=C(/F)CC(C)OCC
InChIInChI=1S/C9H17FO/c1-4-6-9(10)7-8(3)11-5-2/h6,8H,4-5,7H2,1-3H3/b9-6+
InChIKeyGRNKCPASCJIBBI-RMKNXTFCSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.23
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-6-ethoxy-4-fluorohept-3-ene?
The IUPAC name of (E)-6-ethoxy-4-fluorohept-3-ene (CID 139381526) is (E)-6-ethoxy-4-fluorohept-3-ene.
What is the SMILES notation for (E)-6-ethoxy-4-fluorohept-3-ene?
The canonical SMILES for (E)-6-ethoxy-4-fluorohept-3-ene is CC/C=C(/F)CC(C)OCC.
What is the InChIKey of (E)-6-ethoxy-4-fluorohept-3-ene?
The InChIKey is GRNKCPASCJIBBI-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H17FO/c1-4-6-9(10)7-8(3)11-5-2/h6,8H,4-5,7H2,1-3H3/b9-6+.
What are the key properties of (E)-6-ethoxy-4-fluorohept-3-ene?
(E)-6-ethoxy-4-fluorohept-3-ene has a molecular weight of 160.23 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-ethoxy-4-fluorohept-3-ene is sourced from PubChem (CID 139381526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).