(Z)-4-ethoxy-2-fluorohept-4-en-3-ol

C9H17FO2 — CID 142810076

IUPAC(Z)-4-ethoxy-2-fluorohept-4-en-3-ol
SMILESCC/C=C(\OCC)C(O)C(C)F
InChIInChI=1S/C9H17FO2/c1-4-6-8(12-5-2)9(11)7(3)10/h6-7,9,11H,4-5H2,1-3H3/b8-6-
InChIKeyWRJKRWUTZVBXFJ-VURMDHGXSA-N
MW176.23 g/mol
LogP2.04
Rot. Bonds5

About (Z)-4-ethoxy-2-fluorohept-4-en-3-ol

(Z)-4-ethoxy-2-fluorohept-4-en-3-ol (PubChem CID 142810076) has the molecular formula C9H17FO2 and a molecular weight of 176.23 g/mol. Its IUPAC name is (Z)-4-ethoxy-2-fluorohept-4-en-3-ol.

Molecular Properties

Compound Name(Z)-4-ethoxy-2-fluorohept-4-en-3-ol
PubChem CID142810076
Molecular FormulaC9H17FO2
Molecular Weight176.23 g/mol
Exact Mass176.12
IUPAC Name(Z)-4-ethoxy-2-fluorohept-4-en-3-ol
SMILESCC/C=C(\OCC)C(O)C(C)F
InChIInChI=1S/C9H17FO2/c1-4-6-8(12-5-2)9(11)7(3)10/h6-7,9,11H,4-5H2,1-3H3/b8-6-
InChIKeyWRJKRWUTZVBXFJ-VURMDHGXSA-N
XLogP2.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (Z)-4-ethoxy-2-fluorohept-4-en-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,3R)-3-fluoro-2-methyl-3,4-dihydro-2H-pyran-6-yl]methanol
CID 60076837
5-Fluoro-2-methoxycyclohexa-2,4-dien-1-ol
CID 70239954
(Z)-2,2-difluoro-4-propan-2-yloxyhex-4-en-3-ol;ethane;(Z)-4-ethoxy-2-fluorohept-4-en-3-ol
CID 142810074
ethane;(Z)-4-ethoxy-2,2-difluorohex-4-en-3-ol;(Z)-2-fluoro-4-methoxyhept-4-en-3-ol
CID 142883218
(Z)-2-fluoro-4-prop-1-en-2-yloxyhex-4-en-3-ol
CID 142883654
2-[(E)-6-fluorohex-3-en-3-yl]oxypropan-1-ol
CID 170281887
2-(1-Propenyl-oxymethyl)-6-methyl-2,3-dihydro-1,4-dioxine
CID 129742386
2-(2-Methylpropoxy)cyclopent-2-en-1-ol
CID 130130175
(1S)-2-(2-methylpropoxy)cyclopent-2-en-1-ol
CID 130629635
1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol
CID 102649731
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-ol
CID 102649792
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-ol
CID 102649809

Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethoxy-2-fluorohept-4-en-3-ol?
The IUPAC name of (Z)-4-ethoxy-2-fluorohept-4-en-3-ol (CID 142810076) is (Z)-4-ethoxy-2-fluorohept-4-en-3-ol.
What is the SMILES notation for (Z)-4-ethoxy-2-fluorohept-4-en-3-ol?
The canonical SMILES for (Z)-4-ethoxy-2-fluorohept-4-en-3-ol is CC/C=C(\OCC)C(O)C(C)F.
What is the InChIKey of (Z)-4-ethoxy-2-fluorohept-4-en-3-ol?
The InChIKey is WRJKRWUTZVBXFJ-VURMDHGXSA-N. The full InChI is InChI=1S/C9H17FO2/c1-4-6-8(12-5-2)9(11)7(3)10/h6-7,9,11H,4-5H2,1-3H3/b8-6-.
What are the key properties of (Z)-4-ethoxy-2-fluorohept-4-en-3-ol?
(Z)-4-ethoxy-2-fluorohept-4-en-3-ol has a molecular weight of 176.23 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethoxy-2-fluorohept-4-en-3-ol is sourced from PubChem (CID 142810076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).