2,2,5,5-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine

C12H22F3NO2 — CID 79927147

IUPAC2,2,5,5-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
SMILESCC1(C)CC(NCCOCC(F)(F)F)C(C)(C)O1
InChIInChI=1S/C12H22F3NO2/c1-10(2)7-9(11(3,4)18-10)16-5-6-17-8-12(13,14)15/h9,16H,5-8H2,1-4H3
InChIKeyCZQHSVMLXLDHFC-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.50
Rot. Bonds5

About 2,2,5,5-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine

2,2,5,5-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine (PubChem CID 79927147) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
PubChem CID79927147
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name2,2,5,5-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
SMILESCC1(C)CC(NCCOCC(F)(F)F)C(C)(C)O1
InChIInChI=1S/C12H22F3NO2/c1-10(2)7-9(11(3,4)18-10)16-5-6-17-8-12(13,14)15/h9,16H,5-8H2,1-4H3
InChIKeyCZQHSVMLXLDHFC-UHFFFAOYSA-N
XLogP2.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4-Difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 129134151
(2S)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 138741168
(2S)-2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 176724696
4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
CID 55260683
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]ethanamine
CID 62111088
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-1-amine
CID 62111089
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine
CID 62111090
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]cyclopropanamine
CID 62111091
2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine
CID 62111254
2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
CID 64102729
1-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-2-amine
CID 64409487
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]cyclopropanamine
CID 66275519

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine (CID 79927147) is 2,2,5,5-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine is CC1(C)CC(NCCOCC(F)(F)F)C(C)(C)O1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine?
The InChIKey is CZQHSVMLXLDHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-10(2)7-9(11(3,4)18-10)16-5-6-17-8-12(13,14)15/h9,16H,5-8H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine?
2,2,5,5-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine has a molecular weight of 269.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine is sourced from PubChem (CID 79927147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).