1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol

C11H10Cl2F4O2 — CID 103474160

IUPAC1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
SMILESOC(COCC(F)(F)C(F)F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H10Cl2F4O2/c12-6-1-2-8(13)7(3-6)9(18)4-19-5-11(16,17)10(14)15/h1-3,9-10,18H,4-5H2
InChIKeyPTQXUUUKGNMZGH-UHFFFAOYSA-N
MW321.10 g/mol
LogP3.94
Rot. Bonds6

About 1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol

1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol (PubChem CID 103474160) has the molecular formula C11H10Cl2F4O2 and a molecular weight of 321.10 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
PubChem CID103474160
Molecular FormulaC11H10Cl2F4O2
Molecular Weight321.10 g/mol
Exact Mass320.00
IUPAC Name1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
SMILESOC(COCC(F)(F)C(F)F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H10Cl2F4O2/c12-6-1-2-8(13)7(3-6)9(18)4-19-5-11(16,17)10(14)15/h1-3,9-10,18H,4-5H2
InChIKeyPTQXUUUKGNMZGH-UHFFFAOYSA-N
XLogP3.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.10
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-2-fluorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103473924
1-(2,5-dichlorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol
CID 82722510
1-(2-fluoro-4-methoxyphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103473939
1-(2-chloro-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103473957
2-amino-1-(2,5-dichlorophenyl)ethanol
CID 18628108
1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103473969
1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 106881222
1-(2,5-dichlorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207255
1-(2,5-dichlorophenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027501
5-chloro-3-[1-hydrazinyl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-amine
CID 103477811
1-(5-chloro-2-methoxyphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475184
1-(2-chloro-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 103473693

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol (CID 103474160) is 1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol is OC(COCC(F)(F)C(F)F)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The InChIKey is PTQXUUUKGNMZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2F4O2/c12-6-1-2-8(13)7(3-6)9(18)4-19-5-11(16,17)10(14)15/h1-3,9-10,18H,4-5H2.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol has a molecular weight of 321.10 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol is sourced from PubChem (CID 103474160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).