(6Z,8E)-2-(5-fluoro-2-methylphenyl)-2-methyl-6-(methylamino)-4-(trifluoromethyl)deca-6,8-dien-4-ol

C20H27F4NO — CID 143024712

IUPAC(6Z,8E)-2-(5-fluoro-2-methylphenyl)-2-methyl-6-(methylamino)-4-(trifluoromethyl)deca-6,8-dien-4-ol
SMILESC/C=C/C=C(/CC(O)(CC(C)(C)c1cc(F)ccc1C)C(F)(F)F)NC
InChIInChI=1S/C20H27F4NO/c1-6-7-8-16(25-5)12-19(26,20(22,23)24)13-18(3,4)17-11-15(21)10-9-14(17)2/h6-11,25-26H,12-13H2,1-5H3/b7-6+,16-8-
InChIKeySGDIYZUSJPEPPG-MZRWPZDNSA-N
MW373.43 g/mol
LogP5.16
Rot. Bonds7

About (6Z,8E)-2-(5-fluoro-2-methylphenyl)-2-methyl-6-(methylamino)-4-(trifluoromethyl)deca-6,8-dien-4-ol

(6Z,8E)-2-(5-fluoro-2-methylphenyl)-2-methyl-6-(methylamino)-4-(trifluoromethyl)deca-6,8-dien-4-ol (PubChem CID 143024712) has the molecular formula C20H27F4NO and a molecular weight of 373.43 g/mol. Its IUPAC name is (6Z,8E)-2-(5-fluoro-2-methylphenyl)-2-methyl-6-(methylamino)-4-(trifluoromethyl)deca-6,8-dien-4-ol.

Molecular Properties

Compound Name(6Z,8E)-2-(5-fluoro-2-methylphenyl)-2-methyl-6-(methylamino)-4-(trifluoromethyl)deca-6,8-dien-4-ol
PubChem CID143024712
Molecular FormulaC20H27F4NO
Molecular Weight373.43 g/mol
Exact Mass373.20
IUPAC Name(6Z,8E)-2-(5-fluoro-2-methylphenyl)-2-methyl-6-(methylamino)-4-(trifluoromethyl)deca-6,8-dien-4-ol
SMILESC/C=C/C=C(/CC(O)(CC(C)(C)c1cc(F)ccc1C)C(F)(F)F)NC
InChIInChI=1S/C20H27F4NO/c1-6-7-8-16(25-5)12-19(26,20(22,23)24)13-18(3,4)17-11-15(21)10-9-14(17)2/h6-11,25-26H,12-13H2,1-5H3/b7-6+,16-8-
InChIKeySGDIYZUSJPEPPG-MZRWPZDNSA-N
XLogP5.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.43
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z,8E)-2-(5-fluoro-2-methylphenyl)-2-methyl-6-(methylamino)-4-(trifluoromethyl)deca-6,8-dien-4-ol?
The IUPAC name of (6Z,8E)-2-(5-fluoro-2-methylphenyl)-2-methyl-6-(methylamino)-4-(trifluoromethyl)deca-6,8-dien-4-ol (CID 143024712) is (6Z,8E)-2-(5-fluoro-2-methylphenyl)-2-methyl-6-(methylamino)-4-(trifluoromethyl)deca-6,8-dien-4-ol.
What is the SMILES notation for (6Z,8E)-2-(5-fluoro-2-methylphenyl)-2-methyl-6-(methylamino)-4-(trifluoromethyl)deca-6,8-dien-4-ol?
The canonical SMILES for (6Z,8E)-2-(5-fluoro-2-methylphenyl)-2-methyl-6-(methylamino)-4-(trifluoromethyl)deca-6,8-dien-4-ol is C/C=C/C=C(/CC(O)(CC(C)(C)c1cc(F)ccc1C)C(F)(F)F)NC.
What is the InChIKey of (6Z,8E)-2-(5-fluoro-2-methylphenyl)-2-methyl-6-(methylamino)-4-(trifluoromethyl)deca-6,8-dien-4-ol?
The InChIKey is SGDIYZUSJPEPPG-MZRWPZDNSA-N. The full InChI is InChI=1S/C20H27F4NO/c1-6-7-8-16(25-5)12-19(26,20(22,23)24)13-18(3,4)17-11-15(21)10-9-14(17)2/h6-11,25-26H,12-13H2,1-5H3/b7-6+,16-8-.
What are the key properties of (6Z,8E)-2-(5-fluoro-2-methylphenyl)-2-methyl-6-(methylamino)-4-(trifluoromethyl)deca-6,8-dien-4-ol?
(6Z,8E)-2-(5-fluoro-2-methylphenyl)-2-methyl-6-(methylamino)-4-(trifluoromethyl)deca-6,8-dien-4-ol has a molecular weight of 373.43 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8E)-2-(5-fluoro-2-methylphenyl)-2-methyl-6-(methylamino)-4-(trifluoromethyl)deca-6,8-dien-4-ol is sourced from PubChem (CID 143024712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).