2-methyl-3-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C11H20F3NO — CID 103139099

IUPAC2-methyl-3-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)CC1CCC(C)O1
InChIInChI=1S/C11H20F3NO/c1-8(6-15-7-11(12,13)14)5-10-4-3-9(2)16-10/h8-10,15H,3-7H2,1-2H3
InChIKeyDYLLLJUZEVYLJR-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.73
Rot. Bonds5

About 2-methyl-3-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-methyl-3-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 103139099) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-methyl-3-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID103139099
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-methyl-3-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)CC1CCC(C)O1
InChIInChI=1S/C11H20F3NO/c1-8(6-15-7-11(12,13)14)5-10-4-3-9(2)16-10/h8-10,15H,3-7H2,1-2H3
InChIKeyDYLLLJUZEVYLJR-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-5,5-difluoro-6-methoxy-4,7-dimethyloctan-1-amine
CID 146228722
3,3-Difluoro-4-[1-(oxan-3-yl)propan-2-yl]pyrrolidine
CID 156072219
(2R)-1,3,3-trifluoro-2-methyl-3-(oxolan-2-yl)propan-1-amine
CID 166889514
3,3-Difluoro-4-[5-(oxan-3-yl)hexan-2-yl]pyrrolidine
CID 170414141
N,7-dimethyl-1-(2,2,2-trifluoroethoxy)octan-4-amine
CID 55095372
N-ethyl-1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 55095738
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 61748692
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 61749886
2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]propan-1-amine
CID 62724002
2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-1-amine
CID 62725780
2-propan-2-yl-N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 64102696
2-propan-2-yl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 64106491

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 103139099) is 2-methyl-3-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)CC1CCC(C)O1.
What is the InChIKey of 2-methyl-3-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is DYLLLJUZEVYLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8(6-15-7-11(12,13)14)5-10-4-3-9(2)16-10/h8-10,15H,3-7H2,1-2H3.
What are the key properties of 2-methyl-3-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-methyl-3-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 103139099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).