(9E)-4-[2-(dimethylamino)ethyl]-10-fluoro-6-methyldodeca-6,9,11-trien-4-ol

C17H30FNO — CID 143493862

IUPAC(9E)-4-[2-(dimethylamino)ethyl]-10-fluoro-6-methyldodeca-6,9,11-trien-4-ol
SMILESC=C/C(F)=C\CC=C(C)CC(O)(CCC)CCN(C)C
InChIInChI=1S/C17H30FNO/c1-6-11-17(20,12-13-19(4)5)14-15(3)9-8-10-16(18)7-2/h7,9-10,20H,2,6,8,11-14H2,1,3-5H3/b15-9?,16-10+
InChIKeyROILVKRCDGETSO-HHEGBNDJSA-N
MW283.43 g/mol
LogP4.24
Rot. Bonds10

About (9E)-4-[2-(dimethylamino)ethyl]-10-fluoro-6-methyldodeca-6,9,11-trien-4-ol

(9E)-4-[2-(dimethylamino)ethyl]-10-fluoro-6-methyldodeca-6,9,11-trien-4-ol (PubChem CID 143493862) has the molecular formula C17H30FNO and a molecular weight of 283.43 g/mol. Its IUPAC name is (9E)-4-[2-(dimethylamino)ethyl]-10-fluoro-6-methyldodeca-6,9,11-trien-4-ol.

Molecular Properties

Compound Name(9E)-4-[2-(dimethylamino)ethyl]-10-fluoro-6-methyldodeca-6,9,11-trien-4-ol
PubChem CID143493862
Molecular FormulaC17H30FNO
Molecular Weight283.43 g/mol
Exact Mass283.23
IUPAC Name(9E)-4-[2-(dimethylamino)ethyl]-10-fluoro-6-methyldodeca-6,9,11-trien-4-ol
SMILESC=C/C(F)=C\CC=C(C)CC(O)(CCC)CCN(C)C
InChIInChI=1S/C17H30FNO/c1-6-11-17(20,12-13-19(4)5)14-15(3)9-8-10-16(18)7-2/h7,9-10,20H,2,6,8,11-14H2,1,3-5H3/b15-9?,16-10+
InChIKeyROILVKRCDGETSO-HHEGBNDJSA-N
XLogP4.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (9E)-4-[2-(dimethylamino)ethyl]-10-fluoro-6-methyldodeca-6,9,11-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

3-[(5-Fluorocyclohepta-1,3,6-trien-1-yl)methyl]-1-methylpyrrolidin-3-ol
CID 143276816
(6E)-1-[ethyl(methyl)amino]-6-(1-fluoroethylidene)-3-methylundeca-7,10-dien-3-ol
CID 142816444
1-[[1-[(3Z)-5-fluoropenta-1,3-dien-2-yl]cyclopentyl]methyl]-5-methyl-4H-pyridin-3-ol
CID 144059547
(3R,4R,5E,6Z)-3-[(dimethylamino)methyl]-4-ethyl-5-ethylidenenona-6,8-dien-4-ol
CID 142251065
4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-methylpiperidin-4-ol
CID 144145006
4-(Cyclohexa-1,5-dien-1-ylmethyl)-1-methylpiperidin-4-ol
CID 144191921
2-Cyclohexa-1,3-dien-1-yl-4-(dimethylamino)butan-2-ol
CID 144805027
1-methyl-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-ol
CID 155472398

Frequently Asked Questions

What is the IUPAC name of (9E)-4-[2-(dimethylamino)ethyl]-10-fluoro-6-methyldodeca-6,9,11-trien-4-ol?
The IUPAC name of (9E)-4-[2-(dimethylamino)ethyl]-10-fluoro-6-methyldodeca-6,9,11-trien-4-ol (CID 143493862) is (9E)-4-[2-(dimethylamino)ethyl]-10-fluoro-6-methyldodeca-6,9,11-trien-4-ol.
What is the SMILES notation for (9E)-4-[2-(dimethylamino)ethyl]-10-fluoro-6-methyldodeca-6,9,11-trien-4-ol?
The canonical SMILES for (9E)-4-[2-(dimethylamino)ethyl]-10-fluoro-6-methyldodeca-6,9,11-trien-4-ol is C=C/C(F)=C\CC=C(C)CC(O)(CCC)CCN(C)C.
What is the InChIKey of (9E)-4-[2-(dimethylamino)ethyl]-10-fluoro-6-methyldodeca-6,9,11-trien-4-ol?
The InChIKey is ROILVKRCDGETSO-HHEGBNDJSA-N. The full InChI is InChI=1S/C17H30FNO/c1-6-11-17(20,12-13-19(4)5)14-15(3)9-8-10-16(18)7-2/h7,9-10,20H,2,6,8,11-14H2,1,3-5H3/b15-9?,16-10+.
What are the key properties of (9E)-4-[2-(dimethylamino)ethyl]-10-fluoro-6-methyldodeca-6,9,11-trien-4-ol?
(9E)-4-[2-(dimethylamino)ethyl]-10-fluoro-6-methyldodeca-6,9,11-trien-4-ol has a molecular weight of 283.43 g/mol, XLogP of 4.24, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-4-[2-(dimethylamino)ethyl]-10-fluoro-6-methyldodeca-6,9,11-trien-4-ol is sourced from PubChem (CID 143493862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).