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

C11H11Cl2F3O2 — CID 103147543

IUPAC1-(2,3-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESOC(CCOCC(F)(F)F)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H11Cl2F3O2/c12-8-3-1-2-7(10(8)13)9(17)4-5-18-6-11(14,15)16/h1-3,9,17H,4-6H2
InChIKeyCSAYRWFRHBLTGH-UHFFFAOYSA-N
MW303.11 g/mol
LogP4.00
Rot. Bonds5

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

1-(2,3-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol (PubChem CID 103147543) has the molecular formula C11H11Cl2F3O2 and a molecular weight of 303.11 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
PubChem CID103147543
Molecular FormulaC11H11Cl2F3O2
Molecular Weight303.11 g/mol
Exact Mass302.01
IUPAC Name1-(2,3-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESOC(CCOCC(F)(F)F)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H11Cl2F3O2/c12-8-3-1-2-7(10(8)13)9(17)4-5-18-6-11(14,15)16/h1-3,9,17H,4-6H2
InChIKeyCSAYRWFRHBLTGH-UHFFFAOYSA-N
XLogP4.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dichlorophenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927602
1-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 55182098
3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 103147504
1-(4-bromo-3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 106762188
4-amino-1-(2,3-dichlorophenyl)butan-1-ol
CID 54426127
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103210181
1-(2-chlorophenyl)-3-ethoxypropan-1-ol
CID 115601597
(1S,3S)-3-amino-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171237305
1-isoquinolin-4-yl-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103147546
2-(2-chlorophenyl)-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 79437061
1-(2,3-dichlorophenyl)hex-4-yn-1-ol
CID 104809418
1-(3-chloro-2-methylphenyl)-5,5,5-trifluoropentan-1-ol
CID 107103457

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol (CID 103147543) is 1-(2,3-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol is OC(CCOCC(F)(F)F)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The InChIKey is CSAYRWFRHBLTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2F3O2/c12-8-3-1-2-7(10(8)13)9(17)4-5-18-6-11(14,15)16/h1-3,9,17H,4-6H2.
What are the key properties of 1-(2,3-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
1-(2,3-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol has a molecular weight of 303.11 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol is sourced from PubChem (CID 103147543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).