1-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol

C9H16F3NO2 — CID 63298441

IUPAC1-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol
SMILESOC(CNCCOCC(F)(F)F)C1CC1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)6-15-4-3-13-5-8(14)7-1-2-7/h7-8,13-14H,1-6H2
InChIKeyCDXGWPYNFNPCQP-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.93
Rot. Bonds7

About 1-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol

1-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol (PubChem CID 63298441) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol
PubChem CID63298441
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name1-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol
SMILESOC(CNCCOCC(F)(F)F)C1CC1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)6-15-4-3-13-5-8(14)7-1-2-7/h7-8,13-14H,1-6H2
InChIKeyCDXGWPYNFNPCQP-UHFFFAOYSA-N
XLogP0.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol (CID 63298441) is 1-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol is OC(CNCCOCC(F)(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol?
The InChIKey is CDXGWPYNFNPCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)6-15-4-3-13-5-8(14)7-1-2-7/h7-8,13-14H,1-6H2.
What are the key properties of 1-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol?
1-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol has a molecular weight of 227.23 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol is sourced from PubChem (CID 63298441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).