1-(dimethylamino)-2-methyl-3-(2,3,4,5,6-pentafluoroanilino)propan-2-ol

C12H15F5N2O — CID 106145626

IUPAC1-(dimethylamino)-2-methyl-3-(2,3,4,5,6-pentafluoroanilino)propan-2-ol
SMILESCN(C)CC(C)(O)CNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H15F5N2O/c1-12(20,5-19(2)3)4-18-11-9(16)7(14)6(13)8(15)10(11)17/h18,20H,4-5H2,1-3H3
InChIKeyRXZUUOQVIHVIBW-UHFFFAOYSA-N
MW298.26 g/mol
LogP2.11
Rot. Bonds5

About 1-(dimethylamino)-2-methyl-3-(2,3,4,5,6-pentafluoroanilino)propan-2-ol

1-(dimethylamino)-2-methyl-3-(2,3,4,5,6-pentafluoroanilino)propan-2-ol (PubChem CID 106145626) has the molecular formula C12H15F5N2O and a molecular weight of 298.26 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methyl-3-(2,3,4,5,6-pentafluoroanilino)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methyl-3-(2,3,4,5,6-pentafluoroanilino)propan-2-ol
PubChem CID106145626
Molecular FormulaC12H15F5N2O
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name1-(dimethylamino)-2-methyl-3-(2,3,4,5,6-pentafluoroanilino)propan-2-ol
SMILESCN(C)CC(C)(O)CNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H15F5N2O/c1-12(20,5-19(2)3)4-18-11-9(16)7(14)6(13)8(15)10(11)17/h18,20H,4-5H2,1-3H3
InChIKeyRXZUUOQVIHVIBW-UHFFFAOYSA-N
XLogP2.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,3,4,5,6-Pentafluoroanilino)-1-ethanol
CID 2781254
N-(4-Fluorophenyl)-N-(2-hydroxy-2-methylpropyl)amine
CID 18938798
1-(2-Fluoroanilino)-2-methylpropan-2-ol
CID 39237571
2,3,4,5,6-pentafluoro-N-(2-methyl-2-silyloxypropyl)aniline
CID 173540664
2,3,4,5,6-pentafluoro-N-(3-methyl-3-silyloxybutyl)aniline
CID 173540742
N-(2-ethyl-2-silyloxybutyl)-2,3,4,5,6-pentafluoroaniline
CID 173540781
4-[4-(Butylamino)-2,3,5,6-tetrafluorophenyl]-1-(diethylamino)-2-methylbut-3-yn-2-ol
CID 9976673
1,1,1,3,3,3-Hexafluoro-2-[(4-fluoroanilino)methyl]propan-2-ol
CID 12023680
N'-(2,3,4,5,6-pentafluorophenyl)propane-1,3-diamine
CID 15448754
1-(3,4-Difluoroanilino)-2-methylpropan-2-ol
CID 22049581
Methyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium
CID 23123203
Ethyl-methyl-(2,3,4,5,6-pentafluorophenyl)azanium
CID 23123305

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methyl-3-(2,3,4,5,6-pentafluoroanilino)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-methyl-3-(2,3,4,5,6-pentafluoroanilino)propan-2-ol (CID 106145626) is 1-(dimethylamino)-2-methyl-3-(2,3,4,5,6-pentafluoroanilino)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methyl-3-(2,3,4,5,6-pentafluoroanilino)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-methyl-3-(2,3,4,5,6-pentafluoroanilino)propan-2-ol is CN(C)CC(C)(O)CNc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-(dimethylamino)-2-methyl-3-(2,3,4,5,6-pentafluoroanilino)propan-2-ol?
The InChIKey is RXZUUOQVIHVIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F5N2O/c1-12(20,5-19(2)3)4-18-11-9(16)7(14)6(13)8(15)10(11)17/h18,20H,4-5H2,1-3H3.
What are the key properties of 1-(dimethylamino)-2-methyl-3-(2,3,4,5,6-pentafluoroanilino)propan-2-ol?
1-(dimethylamino)-2-methyl-3-(2,3,4,5,6-pentafluoroanilino)propan-2-ol has a molecular weight of 298.26 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methyl-3-(2,3,4,5,6-pentafluoroanilino)propan-2-ol is sourced from PubChem (CID 106145626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).