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

C11H11Cl2F4NO — CID 106292151

IUPAC1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol
SMILESOC(CNCC(F)(F)C(F)F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H11Cl2F4NO/c12-6-1-2-8(13)7(3-6)9(19)4-18-5-11(16,17)10(14)15/h1-3,9-10,18-19H,4-5H2
InChIKeyXQNIGFMDZKRBKF-UHFFFAOYSA-N
MW320.11 g/mol
LogP3.52
Rot. Bonds6

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

1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol (PubChem CID 106292151) has the molecular formula C11H11Cl2F4NO and a molecular weight of 320.11 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol
PubChem CID106292151
Molecular FormulaC11H11Cl2F4NO
Molecular Weight320.11 g/mol
Exact Mass319.02
IUPAC Name1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol
SMILESOC(CNCC(F)(F)C(F)F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H11Cl2F4NO/c12-6-1-2-8(13)7(3-6)9(19)4-18-5-11(16,17)10(14)15/h1-3,9-10,18-19H,4-5H2
InChIKeyXQNIGFMDZKRBKF-UHFFFAOYSA-N
XLogP3.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.11
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol (CID 106292151) is 1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol is OC(CNCC(F)(F)C(F)F)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol?
The InChIKey is XQNIGFMDZKRBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2F4NO/c12-6-1-2-8(13)7(3-6)9(19)4-18-5-11(16,17)10(14)15/h1-3,9-10,18-19H,4-5H2.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol?
1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol has a molecular weight of 320.11 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 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-tetrafluoropropylamino)ethanol is sourced from PubChem (CID 106292151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).