2,2-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol

C11H21F2NO2 — CID 104857770

IUPAC2,2-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol
SMILESCC(C)C1CC(NCC(F)(F)CO)CCO1
InChIInChI=1S/C11H21F2NO2/c1-8(2)10-5-9(3-4-16-10)14-6-11(12,13)7-15/h8-10,14-15H,3-7H2,1-2H3
InChIKeyWXACZMMOOHPUDA-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.41
Rot. Bonds5

About 2,2-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol

2,2-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol (PubChem CID 104857770) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is 2,2-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol
PubChem CID104857770
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC Name2,2-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol
SMILESCC(C)C1CC(NCC(F)(F)CO)CCO1
InChIInChI=1S/C11H21F2NO2/c1-8(2)10-5-9(3-4-16-10)14-6-11(12,13)7-15/h8-10,14-15H,3-7H2,1-2H3
InChIKeyWXACZMMOOHPUDA-UHFFFAOYSA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-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

2,6-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]oxan-4-amine
CID 75445090
(2S,3S,4S,5R)-2-ethyl-3-(fluoromethyl)-5-methylpiperidin-4-ol
CID 164085911
2-(Methoxymethyl)-2-methyl-3-[2-(trifluoromethyl)piperidin-4-yl]propan-1-ol
CID 168148733
4-(Difluoromethoxy)-2-propan-2-ylpiperidine
CID 170772139
1-(3,3-Difluorocyclopentyl)-2-piperidin-2-ylethanol
CID 177970849
1-[(1R)-3,3-difluorocyclopentyl]-2-piperidin-2-ylethanol
CID 177970939
1-[(1S)-3,3-difluorocyclopentyl]-2-piperidin-2-ylethanol
CID 177971208
1-(3,3-Difluorocyclobutyl)-2-piperidin-2-ylethanol
CID 177971342
N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55095373
6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55095421
2-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 64100931
2-propan-2-yl-N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 64101368

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol (CID 104857770) is 2,2-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol is CC(C)C1CC(NCC(F)(F)CO)CCO1.
What is the InChIKey of 2,2-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol?
The InChIKey is WXACZMMOOHPUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO2/c1-8(2)10-5-9(3-4-16-10)14-6-11(12,13)7-15/h8-10,14-15H,3-7H2,1-2H3.
What are the key properties of 2,2-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol?
2,2-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol has a molecular weight of 237.29 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol is sourced from PubChem (CID 104857770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).