N-tert-butyl-N-(2,2,2-trifluoroethyl)oxan-4-amine

C11H20F3NO — CID 177284412

IUPACN-tert-butyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
SMILESCC(C)(C)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H20F3NO/c1-10(2,3)15(8-11(12,13)14)9-4-6-16-7-5-9/h9H,4-8H2,1-3H3
InChIKeyPROUIWWWAPDGDS-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.83
Rot. Bonds2

About N-tert-butyl-N-(2,2,2-trifluoroethyl)oxan-4-amine

N-tert-butyl-N-(2,2,2-trifluoroethyl)oxan-4-amine (PubChem CID 177284412) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-tert-butyl-N-(2,2,2-trifluoroethyl)oxan-4-amine.

Molecular Properties

Compound NameN-tert-butyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
PubChem CID177284412
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-tert-butyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
SMILESCC(C)(C)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H20F3NO/c1-10(2,3)15(8-11(12,13)14)9-4-6-16-7-5-9/h9H,4-8H2,1-3H3
InChIKeyPROUIWWWAPDGDS-UHFFFAOYSA-N
XLogP2.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

US10214537, Example 169
CID 130331240
N-(2,2-difluoro-3-pentoxypropyl)-N,2-dimethylpropan-1-amine
CID 155455126
N-ethyl-2,2-difluoro-N-methyl-3-pentoxypropan-1-amine
CID 156523665
N-butyl-N-ethyl-3-fluoro-4-methyloxan-4-amine
CID 168181102
3,3,3-Trifluoro-2-[[methyl(oxan-4-yl)amino]methyl]propanenitrile
CID 103367738
N-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 115257837
N-(5-fluoropentyl)-N-propan-2-yloxan-4-amine
CID 121527515
N-(1,1-difluoro-2-methylpropan-2-yl)oxan-4-amine
CID 130652150
N-(2,2-difluoroethyl)-N,2-dimethyloxan-4-amine
CID 130666717
N-methyl-N-(2,2,2-trifluoroethoxymethyl)oxan-4-amine
CID 153658093
N-(3-amino-2,2-difluoropropyl)-N-methyloxan-4-amine
CID 165462131
N-methyl-N-propyloxan-4-amine
CID 9898896

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(2,2,2-trifluoroethyl)oxan-4-amine?
The IUPAC name of N-tert-butyl-N-(2,2,2-trifluoroethyl)oxan-4-amine (CID 177284412) is N-tert-butyl-N-(2,2,2-trifluoroethyl)oxan-4-amine.
What is the SMILES notation for N-tert-butyl-N-(2,2,2-trifluoroethyl)oxan-4-amine?
The canonical SMILES for N-tert-butyl-N-(2,2,2-trifluoroethyl)oxan-4-amine is CC(C)(C)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of N-tert-butyl-N-(2,2,2-trifluoroethyl)oxan-4-amine?
The InChIKey is PROUIWWWAPDGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-10(2,3)15(8-11(12,13)14)9-4-6-16-7-5-9/h9H,4-8H2,1-3H3.
What are the key properties of N-tert-butyl-N-(2,2,2-trifluoroethyl)oxan-4-amine?
N-tert-butyl-N-(2,2,2-trifluoroethyl)oxan-4-amine has a molecular weight of 239.28 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(2,2,2-trifluoroethyl)oxan-4-amine is sourced from PubChem (CID 177284412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).