[3,5-dichloro-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methanol

C11H11Cl2F3O3 — CID 61490364

IUPAC[3,5-dichloro-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methanol
SMILESOCc1cc(Cl)cc(Cl)c1OCCOCC(F)(F)F
InChIInChI=1S/C11H11Cl2F3O3/c12-8-3-7(5-17)10(9(13)4-8)19-2-1-18-6-11(14,15)16/h3-4,17H,1-2,5-6H2
InChIKeyTYTVTXZIEJJOAZ-UHFFFAOYSA-N
MW319.11 g/mol
LogP3.44
Rot. Bonds6

About [3,5-dichloro-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methanol

[3,5-dichloro-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methanol (PubChem CID 61490364) has the molecular formula C11H11Cl2F3O3 and a molecular weight of 319.11 g/mol. Its IUPAC name is [3,5-dichloro-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-dichloro-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methanol
PubChem CID61490364
Molecular FormulaC11H11Cl2F3O3
Molecular Weight319.11 g/mol
Exact Mass318.00
IUPAC Name[3,5-dichloro-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methanol
SMILESOCc1cc(Cl)cc(Cl)c1OCCOCC(F)(F)F
InChIInChI=1S/C11H11Cl2F3O3/c12-8-3-7(5-17)10(9(13)4-8)19-2-1-18-6-11(14,15)16/h3-4,17H,1-2,5-6H2
InChIKeyTYTVTXZIEJJOAZ-UHFFFAOYSA-N
XLogP3.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.11
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-chloro-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]methanol
CID 112612892
3-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900680
[3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol
CID 43516162
[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 103046936
[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methanol
CID 43516247
1-(bromomethyl)-3,5-dichloro-2-(4,4,4-trifluorobutoxy)benzene
CID 115514411
1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol
CID 60884982
N-[[3,5-dichloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]ethanamine
CID 64552689
5-chloro-1-(chloromethyl)-3-methoxy-2-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
CID 104666332
[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methanol
CID 79172958
1,3-dibromo-5-(bromomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 107745646
3,5-dichloro-2-(2,2,2-trifluoroethoxymethoxy)benzoic acid
CID 106704997

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methanol?
The IUPAC name of [3,5-dichloro-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methanol (CID 61490364) is [3,5-dichloro-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methanol.
What is the SMILES notation for [3,5-dichloro-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methanol?
The canonical SMILES for [3,5-dichloro-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methanol is OCc1cc(Cl)cc(Cl)c1OCCOCC(F)(F)F.
What is the InChIKey of [3,5-dichloro-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methanol?
The InChIKey is TYTVTXZIEJJOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2F3O3/c12-8-3-7(5-17)10(9(13)4-8)19-2-1-18-6-11(14,15)16/h3-4,17H,1-2,5-6H2.
What are the key properties of [3,5-dichloro-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methanol?
[3,5-dichloro-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methanol has a molecular weight of 319.11 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methanol is sourced from PubChem (CID 61490364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).