1-(2-chlorophenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol

C11H12ClF3O3 — CID 167743089

IUPAC1-(2-chlorophenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESOC(COCC(F)(F)F)COc1ccccc1Cl
InChIInChI=1S/C11H12ClF3O3/c12-9-3-1-2-4-10(9)18-6-8(16)5-17-7-11(13,14)15/h1-4,8,16H,5-7H2
InChIKeyZDIDQPLFPPOGGL-UHFFFAOYSA-N
MW284.66 g/mol
LogP2.66
Rot. Bonds6

About 1-(2-chlorophenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol

1-(2-chlorophenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol (PubChem CID 167743089) has the molecular formula C11H12ClF3O3 and a molecular weight of 284.66 g/mol. Its IUPAC name is 1-(2-chlorophenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol
PubChem CID167743089
Molecular FormulaC11H12ClF3O3
Molecular Weight284.66 g/mol
Exact Mass284.04
IUPAC Name1-(2-chlorophenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESOC(COCC(F)(F)F)COc1ccccc1Cl
InChIInChI=1S/C11H12ClF3O3/c12-9-3-1-2-4-10(9)18-6-8(16)5-17-7-11(13,14)15/h1-4,8,16H,5-7H2
InChIKeyZDIDQPLFPPOGGL-UHFFFAOYSA-N
XLogP2.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.66
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-chlorophenoxy)-3-(2,2,2-trifluoroethoxy)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

(2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol
CID 40540867
2-[(2-chlorophenoxy)methyl]-3,3,3-trifluoropropanenitrile
CID 103368247
2-(2-chlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 106706506
(2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol
CID 7185787
2-amino-3-(2-chlorophenoxy)propane-1,1-diol
CID 156554315
3-[2-hydroxy-3-(2,2,2-trifluoroethoxy)propoxy]-4-methylbenzonitrile
CID 167920569
1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol
CID 2914248
(2R)-1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 2141702
[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]-bis(2-methylpropyl)azanium
CID 2286972
1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 16807396
1,3-bis[2-(chloromethyl)phenoxy]propan-2-ol
CID 11336770
carbamic acid;1-prop-2-ynoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 71436755

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The IUPAC name of 1-(2-chlorophenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol (CID 167743089) is 1-(2-chlorophenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol.
What is the SMILES notation for 1-(2-chlorophenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The canonical SMILES for 1-(2-chlorophenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol is OC(COCC(F)(F)F)COc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The InChIKey is ZDIDQPLFPPOGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3O3/c12-9-3-1-2-4-10(9)18-6-8(16)5-17-7-11(13,14)15/h1-4,8,16H,5-7H2.
What are the key properties of 1-(2-chlorophenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
1-(2-chlorophenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol has a molecular weight of 284.66 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol is sourced from PubChem (CID 167743089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).