ethane;(2Z,4Z,6Z)-1-fluoro-5-methylocta-2,4,6-trien-4-ol

C11H19FO — CID 143613129

IUPACethane;(2Z,4Z,6Z)-1-fluoro-5-methylocta-2,4,6-trien-4-ol
SMILESC/C=C\C(C)=C(O)\C=C/CF.CC
InChIInChI=1S/C9H13FO.C2H6/c1-3-5-8(2)9(11)6-4-7-10;1-2/h3-6,11H,7H2,1-2H3;1-2H3/b5-3-,6-4-,9-8-;
InChIKeyVQRDJHLBWGEQAK-NVXCOGPVSA-N
MW186.27 g/mol
LogP3.95
Rot. Bonds3

About ethane;(2Z,4Z,6Z)-1-fluoro-5-methylocta-2,4,6-trien-4-ol

ethane;(2Z,4Z,6Z)-1-fluoro-5-methylocta-2,4,6-trien-4-ol (PubChem CID 143613129) has the molecular formula C11H19FO and a molecular weight of 186.27 g/mol. Its IUPAC name is ethane;(2Z,4Z,6Z)-1-fluoro-5-methylocta-2,4,6-trien-4-ol.

Molecular Properties

Compound Nameethane;(2Z,4Z,6Z)-1-fluoro-5-methylocta-2,4,6-trien-4-ol
PubChem CID143613129
Molecular FormulaC11H19FO
Molecular Weight186.27 g/mol
Exact Mass186.14
IUPAC Nameethane;(2Z,4Z,6Z)-1-fluoro-5-methylocta-2,4,6-trien-4-ol
SMILESC/C=C\C(C)=C(O)\C=C/CF.CC
InChIInChI=1S/C9H13FO.C2H6/c1-3-5-8(2)9(11)6-4-7-10;1-2/h3-6,11H,7H2,1-2H3;1-2H3/b5-3-,6-4-,9-8-;
InChIKeyVQRDJHLBWGEQAK-NVXCOGPVSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(2Z,4Z,6Z)-1-fluoro-5-methylocta-2,4,6-trien-4-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

(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
(3E)-5-fluoro-2-methylpenta-1,3-diene
CID 54095887
(3E,5Z)-3-methylhepta-1,3,5-trien-4-ol
CID 89289034
(2Z,4E,6Z,9Z)-4,5-dimethylundeca-2,4,6,9-tetraene
CID 142044240
5-(3-fluoroprop-1-enyl)-4-methylideneocta-2,5-diene
CID 123446720
(3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene
CID 118002257
N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine
CID 139436221
(3E,5E)-2,4-dimethylhepta-3,5-dien-3-ol
CID 143682411
4,5,6,7-tetramethylundeca-2,4,6,9-tetraene
CID 123835298
ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene
CID 142883433
(2Z,4Z)-6-fluoro-4,5-dimethylhepta-2,4-diene
CID 164597534
(1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 142933164

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,4Z,6Z)-1-fluoro-5-methylocta-2,4,6-trien-4-ol?
The IUPAC name of ethane;(2Z,4Z,6Z)-1-fluoro-5-methylocta-2,4,6-trien-4-ol (CID 143613129) is ethane;(2Z,4Z,6Z)-1-fluoro-5-methylocta-2,4,6-trien-4-ol.
What is the SMILES notation for ethane;(2Z,4Z,6Z)-1-fluoro-5-methylocta-2,4,6-trien-4-ol?
The canonical SMILES for ethane;(2Z,4Z,6Z)-1-fluoro-5-methylocta-2,4,6-trien-4-ol is C/C=C\C(C)=C(O)\C=C/CF.CC.
What is the InChIKey of ethane;(2Z,4Z,6Z)-1-fluoro-5-methylocta-2,4,6-trien-4-ol?
The InChIKey is VQRDJHLBWGEQAK-NVXCOGPVSA-N. The full InChI is InChI=1S/C9H13FO.C2H6/c1-3-5-8(2)9(11)6-4-7-10;1-2/h3-6,11H,7H2,1-2H3;1-2H3/b5-3-,6-4-,9-8-;.
What are the key properties of ethane;(2Z,4Z,6Z)-1-fluoro-5-methylocta-2,4,6-trien-4-ol?
ethane;(2Z,4Z,6Z)-1-fluoro-5-methylocta-2,4,6-trien-4-ol has a molecular weight of 186.27 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4Z,6Z)-1-fluoro-5-methylocta-2,4,6-trien-4-ol is sourced from PubChem (CID 143613129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).