2-[4-(2,2,2-trifluoroethylamino)oxan-4-yl]ethanol

C9H16F3NO2 — CID 84590200

IUPAC2-[4-(2,2,2-trifluoroethylamino)oxan-4-yl]ethanol
SMILESOCCC1(NCC(F)(F)F)CCOCC1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)7-13-8(1-4-14)2-5-15-6-3-8/h13-14H,1-7H2
InChIKeyCWGRSGPYLPZQEH-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.07
Rot. Bonds4

About 2-[4-(2,2,2-trifluoroethylamino)oxan-4-yl]ethanol

2-[4-(2,2,2-trifluoroethylamino)oxan-4-yl]ethanol (PubChem CID 84590200) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-[4-(2,2,2-trifluoroethylamino)oxan-4-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2,2,2-trifluoroethylamino)oxan-4-yl]ethanol
PubChem CID84590200
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2-[4-(2,2,2-trifluoroethylamino)oxan-4-yl]ethanol
SMILESOCCC1(NCC(F)(F)F)CCOCC1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)7-13-8(1-4-14)2-5-15-6-3-8/h13-14H,1-7H2
InChIKeyCWGRSGPYLPZQEH-UHFFFAOYSA-N
XLogP1.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2,2-trifluoroethylamino)oxan-4-yl]ethanol?
The IUPAC name of 2-[4-(2,2,2-trifluoroethylamino)oxan-4-yl]ethanol (CID 84590200) is 2-[4-(2,2,2-trifluoroethylamino)oxan-4-yl]ethanol.
What is the SMILES notation for 2-[4-(2,2,2-trifluoroethylamino)oxan-4-yl]ethanol?
The canonical SMILES for 2-[4-(2,2,2-trifluoroethylamino)oxan-4-yl]ethanol is OCCC1(NCC(F)(F)F)CCOCC1.
What is the InChIKey of 2-[4-(2,2,2-trifluoroethylamino)oxan-4-yl]ethanol?
The InChIKey is CWGRSGPYLPZQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)7-13-8(1-4-14)2-5-15-6-3-8/h13-14H,1-7H2.
What are the key properties of 2-[4-(2,2,2-trifluoroethylamino)oxan-4-yl]ethanol?
2-[4-(2,2,2-trifluoroethylamino)oxan-4-yl]ethanol has a molecular weight of 227.23 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2,2-trifluoroethylamino)oxan-4-yl]ethanol is sourced from PubChem (CID 84590200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).