2-[oxan-3-yl(2,2,2-trifluoroethyl)amino]ethanol

C9H16F3NO2 — CID 103748156

IUPAC2-[oxan-3-yl(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC(F)(F)F)C1CCCOC1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)7-13(3-4-14)8-2-1-5-15-6-8/h8,14H,1-7H2
InChIKeyIGHCCVRIBBZSKN-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.02
Rot. Bonds4

About 2-[oxan-3-yl(2,2,2-trifluoroethyl)amino]ethanol

2-[oxan-3-yl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103748156) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-[oxan-3-yl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[oxan-3-yl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103748156
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2-[oxan-3-yl(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC(F)(F)F)C1CCCOC1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)7-13(3-4-14)8-2-1-5-15-6-8/h8,14H,1-7H2
InChIKeyIGHCCVRIBBZSKN-UHFFFAOYSA-N
XLogP1.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl(3,3,3-trifluoropropyl)amino]ethanol
CID 64567596
2-[(3,5-dimethylcyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107485883
2-[oxepan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266351
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cycloheptanamine
CID 107489081
5-[methyl(oxan-3-yl)amino]pentan-1-ol
CID 107204072
2-[(4-aminooxan-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486880
2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495504
3-[ethyl(oxan-3-yl)amino]propanoic acid
CID 65062378
2,2-difluoro-N'-methyl-N'-(oxan-3-yl)propane-1,3-diamine
CID 165462577
3-[ethyl(oxan-3-yl)amino]propanethioamide
CID 107134685
2-[cyclobutyl(oxan-4-ylmethyl)amino]ethanol
CID 102676607
N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide
CID 97051794

Frequently Asked Questions

What is the IUPAC name of 2-[oxan-3-yl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[oxan-3-yl(2,2,2-trifluoroethyl)amino]ethanol (CID 103748156) is 2-[oxan-3-yl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[oxan-3-yl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[oxan-3-yl(2,2,2-trifluoroethyl)amino]ethanol is OCCN(CC(F)(F)F)C1CCCOC1.
What is the InChIKey of 2-[oxan-3-yl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is IGHCCVRIBBZSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)7-13(3-4-14)8-2-1-5-15-6-8/h8,14H,1-7H2.
What are the key properties of 2-[oxan-3-yl(2,2,2-trifluoroethyl)amino]ethanol?
2-[oxan-3-yl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 227.23 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[oxan-3-yl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103748156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).