2,2,2-trifluoro-1-(3-fluorophenyl)-1-[2-methoxy-5-methyl-4-(2-methylhexylideneamino)phenyl]ethanol

C23H27F4NO2 — CID 163648063

IUPAC2,2,2-trifluoro-1-(3-fluorophenyl)-1-[2-methoxy-5-methyl-4-(2-methylhexylideneamino)phenyl]ethanol
SMILESCCCCC(C)/C=N/c1cc(OC)c(C(O)(c2cccc(F)c2)C(F)(F)F)cc1C
InChIInChI=1S/C23H27F4NO2/c1-5-6-8-15(2)14-28-20-13-21(30-4)19(11-16(20)3)22(29,23(25,26)27)17-9-7-10-18(24)12-17/h7,9-15,29H,5-6,8H2,1-4H3/b28-14+
InChIKeyIJYGNSKRDVAESN-CCVNUDIWSA-N
MW425.47 g/mol
LogP6.47
Rot. Bonds8

About 2,2,2-trifluoro-1-(3-fluorophenyl)-1-[2-methoxy-5-methyl-4-(2-methylhexylideneamino)phenyl]ethanol

2,2,2-trifluoro-1-(3-fluorophenyl)-1-[2-methoxy-5-methyl-4-(2-methylhexylideneamino)phenyl]ethanol (PubChem CID 163648063) has the molecular formula C23H27F4NO2 and a molecular weight of 425.47 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-fluorophenyl)-1-[2-methoxy-5-methyl-4-(2-methylhexylideneamino)phenyl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-fluorophenyl)-1-[2-methoxy-5-methyl-4-(2-methylhexylideneamino)phenyl]ethanol
PubChem CID163648063
Molecular FormulaC23H27F4NO2
Molecular Weight425.47 g/mol
Exact Mass425.20
IUPAC Name2,2,2-trifluoro-1-(3-fluorophenyl)-1-[2-methoxy-5-methyl-4-(2-methylhexylideneamino)phenyl]ethanol
SMILESCCCCC(C)/C=N/c1cc(OC)c(C(O)(c2cccc(F)c2)C(F)(F)F)cc1C
InChIInChI=1S/C23H27F4NO2/c1-5-6-8-15(2)14-28-20-13-21(30-4)19(11-16(20)3)22(29,23(25,26)27)17-9-7-10-18(24)12-17/h7,9-15,29H,5-6,8H2,1-4H3/b28-14+
InChIKeyIJYGNSKRDVAESN-CCVNUDIWSA-N
XLogP6.47
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.47
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-1-(3-fluorophenyl)-1-[2-methoxy-5-methyl-4-(2-methylhexylideneamino)phenyl]ethanol 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

N'-[5-methoxy-2-methyl-4-[2,2,2-trifluoro-1-(2-fluorophenyl)-1-hydroxyethyl]phenyl]-N-methyl-N-propan-2-ylmethanimidamide
CID 129274745
N'-[4-[(4E)-4-ethoxyimino-1,1,1-trifluoro-2-hydroxypentan-2-yl]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 137362213
1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872327
N-ethyl-N'-[4-(2-hydroxy-4-methylpentan-2-yl)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide
CID 147037586
N'-[4-(3-cyano-1,1,1-trifluoro-2-hydroxy-3-methylbutan-2-yl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 134531708
2-(3-fluorophenyl)-4-methylheptan-2-ol
CID 65145180
2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol
CID 11778513
N'-[4-(1-cyclohexyl-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146907182
1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol
CID 62787268
ethyl 2-fluoro-3-(3-fluorophenyl)-3-hydroxybutanoate
CID 79367020
diethyl 2-[1-(3-fluorophenyl)-1-hydroxyethyl]propanedioate
CID 62395295
(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-fluorophenyl)-1-[2-methoxy-5-methyl-4-(2-methylhexylideneamino)phenyl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(3-fluorophenyl)-1-[2-methoxy-5-methyl-4-(2-methylhexylideneamino)phenyl]ethanol (CID 163648063) is 2,2,2-trifluoro-1-(3-fluorophenyl)-1-[2-methoxy-5-methyl-4-(2-methylhexylideneamino)phenyl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-fluorophenyl)-1-[2-methoxy-5-methyl-4-(2-methylhexylideneamino)phenyl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(3-fluorophenyl)-1-[2-methoxy-5-methyl-4-(2-methylhexylideneamino)phenyl]ethanol is CCCCC(C)/C=N/c1cc(OC)c(C(O)(c2cccc(F)c2)C(F)(F)F)cc1C.
What is the InChIKey of 2,2,2-trifluoro-1-(3-fluorophenyl)-1-[2-methoxy-5-methyl-4-(2-methylhexylideneamino)phenyl]ethanol?
The InChIKey is IJYGNSKRDVAESN-CCVNUDIWSA-N. The full InChI is InChI=1S/C23H27F4NO2/c1-5-6-8-15(2)14-28-20-13-21(30-4)19(11-16(20)3)22(29,23(25,26)27)17-9-7-10-18(24)12-17/h7,9-15,29H,5-6,8H2,1-4H3/b28-14+.
What are the key properties of 2,2,2-trifluoro-1-(3-fluorophenyl)-1-[2-methoxy-5-methyl-4-(2-methylhexylideneamino)phenyl]ethanol?
2,2,2-trifluoro-1-(3-fluorophenyl)-1-[2-methoxy-5-methyl-4-(2-methylhexylideneamino)phenyl]ethanol has a molecular weight of 425.47 g/mol, XLogP of 6.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-fluorophenyl)-1-[2-methoxy-5-methyl-4-(2-methylhexylideneamino)phenyl]ethanol is sourced from PubChem (CID 163648063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).