1-(3,4-dichlorophenoxy)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol

C11H12Cl2F3NO3 — CID 82721381

IUPAC1-(3,4-dichlorophenoxy)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
SMILESOC(CNOCC(F)(F)F)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2F3NO3/c12-9-2-1-8(3-10(9)13)19-5-7(18)4-17-20-6-11(14,15)16/h1-3,7,17-18H,4-6H2
InChIKeyAPASMBQXGHSJTM-UHFFFAOYSA-N
MW334.12 g/mol
LogP2.82
Rot. Bonds7

About 1-(3,4-dichlorophenoxy)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol

1-(3,4-dichlorophenoxy)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol (PubChem CID 82721381) has the molecular formula C11H12Cl2F3NO3 and a molecular weight of 334.12 g/mol. Its IUPAC name is 1-(3,4-dichlorophenoxy)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dichlorophenoxy)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
PubChem CID82721381
Molecular FormulaC11H12Cl2F3NO3
Molecular Weight334.12 g/mol
Exact Mass333.01
IUPAC Name1-(3,4-dichlorophenoxy)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
SMILESOC(CNOCC(F)(F)F)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2F3NO3/c12-9-2-1-8(3-10(9)13)19-5-7(18)4-17-20-6-11(14,15)16/h1-3,7,17-18H,4-6H2
InChIKeyAPASMBQXGHSJTM-UHFFFAOYSA-N
XLogP2.82
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.12
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(3,4-dichlorophenoxy)-3-(2,2,2-trifluoroethoxyamino)propan-2-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

1-(3,4-dichlorophenoxy)-3-(2-methylpropoxyamino)propan-2-ol
CID 82715506
1-(3,4-dichlorophenoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
CID 106291336
3-(3,4-dichlorophenoxy)propane-1,2-diol
CID 78931944
1-[(4-chlorophenyl)methoxy]-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
CID 82721875
3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
CID 106174321
1-(2,5-dichlorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol
CID 82722510
1-(3,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol
CID 60713365
1-(3-aminopropylamino)-3-(3,4-dichlorophenoxy)propan-2-ol
CID 62275385
2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]acetamide
CID 60900938
1-[(2-methylpropan-2-yl)oxy]-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
CID 82722599
2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]ethyl carbamate
CID 83209571
1-(3-chlorophenoxy)-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
CID 60729480

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenoxy)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol?
The IUPAC name of 1-(3,4-dichlorophenoxy)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol (CID 82721381) is 1-(3,4-dichlorophenoxy)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol.
What is the SMILES notation for 1-(3,4-dichlorophenoxy)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol?
The canonical SMILES for 1-(3,4-dichlorophenoxy)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol is OC(CNOCC(F)(F)F)COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenoxy)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol?
The InChIKey is APASMBQXGHSJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2F3NO3/c12-9-2-1-8(3-10(9)13)19-5-7(18)4-17-20-6-11(14,15)16/h1-3,7,17-18H,4-6H2.
What are the key properties of 1-(3,4-dichlorophenoxy)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol?
1-(3,4-dichlorophenoxy)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol has a molecular weight of 334.12 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenoxy)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol is sourced from PubChem (CID 82721381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).