N-[[1-(2,2,2-trifluoroethoxymethyl)cyclobutyl]methyl]propan-2-amine

C11H20F3NO — CID 106706062

IUPACN-[[1-(2,2,2-trifluoroethoxymethyl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1(COCC(F)(F)F)CCC1
InChIInChI=1S/C11H20F3NO/c1-9(2)15-6-10(4-3-5-10)7-16-8-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyQKIOHIDWXSMHMO-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.73
Rot. Bonds6

About N-[[1-(2,2,2-trifluoroethoxymethyl)cyclobutyl]methyl]propan-2-amine

N-[[1-(2,2,2-trifluoroethoxymethyl)cyclobutyl]methyl]propan-2-amine (PubChem CID 106706062) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethoxymethyl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethoxymethyl)cyclobutyl]methyl]propan-2-amine
PubChem CID106706062
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-[[1-(2,2,2-trifluoroethoxymethyl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1(COCC(F)(F)F)CCC1
InChIInChI=1S/C11H20F3NO/c1-9(2)15-6-10(4-3-5-10)7-16-8-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyQKIOHIDWXSMHMO-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine
CID 106706225
N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 106705985
N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine
CID 103984492
N-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine
CID 102940549
N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 106456993
N-[2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]ethyl]propan-2-amine
CID 103273035
N-[[1-(trifluoromethyl)cyclobutyl]methyl]propan-2-amine
CID 165469664
N-[(1-ethylcyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 114125181
N-[[1-(2-butoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 65194383
2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutyl]methyl]ethanamine
CID 65196621
[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methanesulfonamide
CID 65006896
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine
CID 62723573

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethoxymethyl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethoxymethyl)cyclobutyl]methyl]propan-2-amine (CID 106706062) is N-[[1-(2,2,2-trifluoroethoxymethyl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethoxymethyl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethoxymethyl)cyclobutyl]methyl]propan-2-amine is CC(C)NCC1(COCC(F)(F)F)CCC1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethoxymethyl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is QKIOHIDWXSMHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-9(2)15-6-10(4-3-5-10)7-16-8-11(12,13)14/h9,15H,3-8H2,1-2H3.
What are the key properties of N-[[1-(2,2,2-trifluoroethoxymethyl)cyclobutyl]methyl]propan-2-amine?
N-[[1-(2,2,2-trifluoroethoxymethyl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethoxymethyl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 106706062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).