2-(2,2,2-trifluoroethylamino)-2-(2,4,5-trifluorophenyl)ethanol

C10H9F6NO — CID 114058089

IUPAC2-(2,2,2-trifluoroethylamino)-2-(2,4,5-trifluorophenyl)ethanol
SMILESOCC(NCC(F)(F)F)c1cc(F)c(F)cc1F
InChIInChI=1S/C10H9F6NO/c11-6-2-8(13)7(12)1-5(6)9(3-18)17-4-10(14,15)16/h1-2,9,17-18H,3-4H2
InChIKeyXCKSKYAYQQPXIB-UHFFFAOYSA-N
MW273.18 g/mol
LogP2.29
Rot. Bonds4

About 2-(2,2,2-trifluoroethylamino)-2-(2,4,5-trifluorophenyl)ethanol

2-(2,2,2-trifluoroethylamino)-2-(2,4,5-trifluorophenyl)ethanol (PubChem CID 114058089) has the molecular formula C10H9F6NO and a molecular weight of 273.18 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)-2-(2,4,5-trifluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)-2-(2,4,5-trifluorophenyl)ethanol
PubChem CID114058089
Molecular FormulaC10H9F6NO
Molecular Weight273.18 g/mol
Exact Mass273.06
IUPAC Name2-(2,2,2-trifluoroethylamino)-2-(2,4,5-trifluorophenyl)ethanol
SMILESOCC(NCC(F)(F)F)c1cc(F)c(F)cc1F
InChIInChI=1S/C10H9F6NO/c11-6-2-8(13)7(12)1-5(6)9(3-18)17-4-10(14,15)16/h1-2,9,17-18H,3-4H2
InChIKeyXCKSKYAYQQPXIB-UHFFFAOYSA-N
XLogP2.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylamino)-2-(2,4,5-trifluorophenyl)ethanol?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)-2-(2,4,5-trifluorophenyl)ethanol (CID 114058089) is 2-(2,2,2-trifluoroethylamino)-2-(2,4,5-trifluorophenyl)ethanol.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)-2-(2,4,5-trifluorophenyl)ethanol?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)-2-(2,4,5-trifluorophenyl)ethanol is OCC(NCC(F)(F)F)c1cc(F)c(F)cc1F.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)-2-(2,4,5-trifluorophenyl)ethanol?
The InChIKey is XCKSKYAYQQPXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6NO/c11-6-2-8(13)7(12)1-5(6)9(3-18)17-4-10(14,15)16/h1-2,9,17-18H,3-4H2.
What are the key properties of 2-(2,2,2-trifluoroethylamino)-2-(2,4,5-trifluorophenyl)ethanol?
2-(2,2,2-trifluoroethylamino)-2-(2,4,5-trifluorophenyl)ethanol has a molecular weight of 273.18 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylamino)-2-(2,4,5-trifluorophenyl)ethanol is sourced from PubChem (CID 114058089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).