(6Z,8E,10Z)-6,11-diamino-8-ethylidene-2-(5-fluoro-2-methoxyphenyl)-2-methyl-12-(methylamino)-4-(trifluoromethyl)dodeca-6,10-dien-4-ol

C24H35F4N3O2 — CID 143024393

IUPAC(6Z,8E,10Z)-6,11-diamino-8-ethylidene-2-(5-fluoro-2-methoxyphenyl)-2-methyl-12-(methylamino)-4-(trifluoromethyl)dodeca-6,10-dien-4-ol
SMILESC/C=C(/C=C(\N)CC(O)(CC(C)(C)c1cc(F)ccc1OC)C(F)(F)F)C/C=C(\N)CNC
InChIInChI=1S/C24H35F4N3O2/c1-6-16(7-9-18(29)14-31-4)11-19(30)13-23(32,24(26,27)28)15-22(2,3)20-12-17(25)8-10-21(20)33-5/h6,8-12,31-32H,7,13-15,29-30H2,1-5H3/b16-6+,18-9-,19-11-
InChIKeyXWQJDYIYRKWOAA-VBVAQMCFSA-N
MW473.56 g/mol
LogP4.43
Rot. Bonds11

About (6Z,8E,10Z)-6,11-diamino-8-ethylidene-2-(5-fluoro-2-methoxyphenyl)-2-methyl-12-(methylamino)-4-(trifluoromethyl)dodeca-6,10-dien-4-ol

(6Z,8E,10Z)-6,11-diamino-8-ethylidene-2-(5-fluoro-2-methoxyphenyl)-2-methyl-12-(methylamino)-4-(trifluoromethyl)dodeca-6,10-dien-4-ol (PubChem CID 143024393) has the molecular formula C24H35F4N3O2 and a molecular weight of 473.56 g/mol. Its IUPAC name is (6Z,8E,10Z)-6,11-diamino-8-ethylidene-2-(5-fluoro-2-methoxyphenyl)-2-methyl-12-(methylamino)-4-(trifluoromethyl)dodeca-6,10-dien-4-ol.

Molecular Properties

Compound Name(6Z,8E,10Z)-6,11-diamino-8-ethylidene-2-(5-fluoro-2-methoxyphenyl)-2-methyl-12-(methylamino)-4-(trifluoromethyl)dodeca-6,10-dien-4-ol
PubChem CID143024393
Molecular FormulaC24H35F4N3O2
Molecular Weight473.56 g/mol
Exact Mass473.27
IUPAC Name(6Z,8E,10Z)-6,11-diamino-8-ethylidene-2-(5-fluoro-2-methoxyphenyl)-2-methyl-12-(methylamino)-4-(trifluoromethyl)dodeca-6,10-dien-4-ol
SMILESC/C=C(/C=C(\N)CC(O)(CC(C)(C)c1cc(F)ccc1OC)C(F)(F)F)C/C=C(\N)CNC
InChIInChI=1S/C24H35F4N3O2/c1-6-16(7-9-18(29)14-31-4)11-19(30)13-23(32,24(26,27)28)15-22(2,3)20-12-17(25)8-10-21(20)33-5/h6,8-12,31-32H,7,13-15,29-30H2,1-5H3/b16-6+,18-9-,19-11-
InChIKeyXWQJDYIYRKWOAA-VBVAQMCFSA-N
XLogP4.43
TPSA93.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 54.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (6Z,8E,10Z)-6,11-diamino-8-ethylidene-2-(5-fluoro-2-methoxyphenyl)-2-methyl-12-(methylamino)-4-(trifluoromethyl)dodeca-6,10-dien-4-ol with MolForge

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Related Compounds

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methyl 5-(5-fluoro-2-methoxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoate
CID 71210621
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(2,3,5-trifluorophenyl)methyl]pentan-2-ol
CID 10151117
(Z)-2-amino-6-(2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol
CID 142814251
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-2-[(6-fluoro-2-pyridinyl)methyl]-4-methylpentan-2-ol
CID 10309505
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]pentan-2-ol
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3-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]benzamide
CID 58959937
(2S)-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(4-methylphenyl)sulfinylmethyl]pentan-2-ol
CID 69415325
2-[(3,4-dichlorophenyl)methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
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2-[[2-[(Z)-(dimethylhydrazinylidene)methyl]anilino]methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
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Frequently Asked Questions

What is the IUPAC name of (6Z,8E,10Z)-6,11-diamino-8-ethylidene-2-(5-fluoro-2-methoxyphenyl)-2-methyl-12-(methylamino)-4-(trifluoromethyl)dodeca-6,10-dien-4-ol?
The IUPAC name of (6Z,8E,10Z)-6,11-diamino-8-ethylidene-2-(5-fluoro-2-methoxyphenyl)-2-methyl-12-(methylamino)-4-(trifluoromethyl)dodeca-6,10-dien-4-ol (CID 143024393) is (6Z,8E,10Z)-6,11-diamino-8-ethylidene-2-(5-fluoro-2-methoxyphenyl)-2-methyl-12-(methylamino)-4-(trifluoromethyl)dodeca-6,10-dien-4-ol.
What is the SMILES notation for (6Z,8E,10Z)-6,11-diamino-8-ethylidene-2-(5-fluoro-2-methoxyphenyl)-2-methyl-12-(methylamino)-4-(trifluoromethyl)dodeca-6,10-dien-4-ol?
The canonical SMILES for (6Z,8E,10Z)-6,11-diamino-8-ethylidene-2-(5-fluoro-2-methoxyphenyl)-2-methyl-12-(methylamino)-4-(trifluoromethyl)dodeca-6,10-dien-4-ol is C/C=C(/C=C(\N)CC(O)(CC(C)(C)c1cc(F)ccc1OC)C(F)(F)F)C/C=C(\N)CNC.
What is the InChIKey of (6Z,8E,10Z)-6,11-diamino-8-ethylidene-2-(5-fluoro-2-methoxyphenyl)-2-methyl-12-(methylamino)-4-(trifluoromethyl)dodeca-6,10-dien-4-ol?
The InChIKey is XWQJDYIYRKWOAA-VBVAQMCFSA-N. The full InChI is InChI=1S/C24H35F4N3O2/c1-6-16(7-9-18(29)14-31-4)11-19(30)13-23(32,24(26,27)28)15-22(2,3)20-12-17(25)8-10-21(20)33-5/h6,8-12,31-32H,7,13-15,29-30H2,1-5H3/b16-6+,18-9-,19-11-.
What are the key properties of (6Z,8E,10Z)-6,11-diamino-8-ethylidene-2-(5-fluoro-2-methoxyphenyl)-2-methyl-12-(methylamino)-4-(trifluoromethyl)dodeca-6,10-dien-4-ol?
(6Z,8E,10Z)-6,11-diamino-8-ethylidene-2-(5-fluoro-2-methoxyphenyl)-2-methyl-12-(methylamino)-4-(trifluoromethyl)dodeca-6,10-dien-4-ol has a molecular weight of 473.56 g/mol, XLogP of 4.43, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8E,10Z)-6,11-diamino-8-ethylidene-2-(5-fluoro-2-methoxyphenyl)-2-methyl-12-(methylamino)-4-(trifluoromethyl)dodeca-6,10-dien-4-ol is sourced from PubChem (CID 143024393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).