(Z,3E)-1-ethoxy-3-ethylidene-7-fluorohept-5-en-2-ol

C11H19FO2 — CID 137453472

IUPAC(Z,3E)-1-ethoxy-3-ethylidene-7-fluorohept-5-en-2-ol
SMILESC/C=C(\C/C=C\CF)C(O)COCC
InChIInChI=1S/C11H19FO2/c1-3-10(7-5-6-8-12)11(13)9-14-4-2/h3,5-6,11,13H,4,7-9H2,1-2H3/b6-5-,10-3+
InChIKeyXDMZPQNDSWNOCI-VMTDUWPYSA-N
MW202.27 g/mol
LogP2.25
Rot. Bonds7

About (Z,3E)-1-ethoxy-3-ethylidene-7-fluorohept-5-en-2-ol

(Z,3E)-1-ethoxy-3-ethylidene-7-fluorohept-5-en-2-ol (PubChem CID 137453472) has the molecular formula C11H19FO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is (Z,3E)-1-ethoxy-3-ethylidene-7-fluorohept-5-en-2-ol.

Molecular Properties

Compound Name(Z,3E)-1-ethoxy-3-ethylidene-7-fluorohept-5-en-2-ol
PubChem CID137453472
Molecular FormulaC11H19FO2
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Name(Z,3E)-1-ethoxy-3-ethylidene-7-fluorohept-5-en-2-ol
SMILESC/C=C(\C/C=C\CF)C(O)COCC
InChIInChI=1S/C11H19FO2/c1-3-10(7-5-6-8-12)11(13)9-14-4-2/h3,5-6,11,13H,4,7-9H2,1-2H3/b6-5-,10-3+
InChIKeyXDMZPQNDSWNOCI-VMTDUWPYSA-N
XLogP2.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 90436494
CID 90436494
CID 123895900
CID 123895900
CID 141889934
CID 141889934
CID 559110
CID 559110
CID 16084938
CID 16084938
CID 5366259
CID 5366259
CID 5367947
CID 5367947
CID 178416686
CID 178416686
CID 178416861
CID 178416861
CID 21486221
CID 21486221
CID 54034277
CID 54034277
CID 57057451
CID 57057451

Frequently Asked Questions

What is the IUPAC name of (Z,3E)-1-ethoxy-3-ethylidene-7-fluorohept-5-en-2-ol?
The IUPAC name of (Z,3E)-1-ethoxy-3-ethylidene-7-fluorohept-5-en-2-ol (CID 137453472) is (Z,3E)-1-ethoxy-3-ethylidene-7-fluorohept-5-en-2-ol.
What is the SMILES notation for (Z,3E)-1-ethoxy-3-ethylidene-7-fluorohept-5-en-2-ol?
The canonical SMILES for (Z,3E)-1-ethoxy-3-ethylidene-7-fluorohept-5-en-2-ol is C/C=C(\C/C=C\CF)C(O)COCC.
What is the InChIKey of (Z,3E)-1-ethoxy-3-ethylidene-7-fluorohept-5-en-2-ol?
The InChIKey is XDMZPQNDSWNOCI-VMTDUWPYSA-N. The full InChI is InChI=1S/C11H19FO2/c1-3-10(7-5-6-8-12)11(13)9-14-4-2/h3,5-6,11,13H,4,7-9H2,1-2H3/b6-5-,10-3+.
What are the key properties of (Z,3E)-1-ethoxy-3-ethylidene-7-fluorohept-5-en-2-ol?
(Z,3E)-1-ethoxy-3-ethylidene-7-fluorohept-5-en-2-ol has a molecular weight of 202.27 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-1-ethoxy-3-ethylidene-7-fluorohept-5-en-2-ol is sourced from PubChem (CID 137453472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).