2-(Oxan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol

C9H16F3NO2 — CID 62391610

IUPAC2-(oxan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESC1COCCC1C(CO)NCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)6-13-8(5-14)7-1-3-15-4-2-7/h7-8,13-14H,1-6H2
InChIKeyNUEBHLZTYZFBRT-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.90
Rot. Bonds4

About 2-(Oxan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol

2-(Oxan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol (PubChem CID 62391610) has the molecular formula C9H16F3NO2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-(oxan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol.

Molecular Properties

Compound Name2-(Oxan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
PubChem CID62391610
Molecular FormulaC9H16F3NO2
Molecular Weight227.22 g/mol
Exact Mass227.11
IUPAC Name2-(oxan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESC1COCCC1C(CO)NCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)6-13-8(5-14)7-1-3-15-4-2-7/h7-8,13-14H,1-6H2
InChIKeyNUEBHLZTYZFBRT-UHFFFAOYSA-N
XLogP0.90
TPSA41.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity181

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2,2,2-Trifluoroethylamino)oxan-4-yl]ethanol
CID 84590200
2-(2,2-Difluoroethylamino)-2-(oxolan-3-yl)ethanol
CID 169181963
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol
CID 54962234
2-(Oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61047318
4-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]pentan-1-ol
CID 61490392
1,1,1-Trifluoro-3-{[(oxan-4-yl)methyl]amino}propan-2-ol
CID 63900049
[3-(2,2,2-Trifluoroethylamino)oxan-3-yl]methanol
CID 64174787
2-(Cyclopropylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 64802823
2-(Ethylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 64803241
2-Methyl-2-(propan-2-ylamino)-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 64803862
2-Methyl-2-(propylamino)-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 64804499
2-Methyl-2-(propan-2-ylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
CID 66277699

Frequently Asked Questions

What is the IUPAC name of 2-(Oxan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The IUPAC name of 2-(Oxan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol (CID 62391610) is 2-(oxan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol.
What is the SMILES notation for 2-(Oxan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The canonical SMILES for 2-(Oxan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol is C1COCCC1C(CO)NCC(F)(F)F.
What is the InChIKey of 2-(Oxan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The InChIKey is NUEBHLZTYZFBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)6-13-8(5-14)7-1-3-15-4-2-7/h7-8,13-14H,1-6H2.
What are the key properties of 2-(Oxan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
2-(Oxan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol has a molecular weight of 227.22 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(Oxan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol is sourced from PubChem (CID 62391610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).