(2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-4,4,4-trifluorobutan-2-amine

C13H24F3NO — CID 129340353

IUPAC(2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-4,4,4-trifluorobutan-2-amine
SMILESC[C@@H](CC(F)(F)F)NC[C@H]1CCO[C@@H]1C(C)(C)C
InChIInChI=1S/C13H24F3NO/c1-9(7-13(14,15)16)17-8-10-5-6-18-11(10)12(2,3)4/h9-11,17H,5-8H2,1-4H3/t9-,10+,11-/m0/s1
InChIKeyXECRRRIEEYFGLS-AXFHLTTASA-N
MW267.33 g/mol
LogP3.37
Rot. Bonds4

About (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-4,4,4-trifluorobutan-2-amine

(2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-4,4,4-trifluorobutan-2-amine (PubChem CID 129340353) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-4,4,4-trifluorobutan-2-amine.

Molecular Properties

Compound Name(2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-4,4,4-trifluorobutan-2-amine
PubChem CID129340353
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name(2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-4,4,4-trifluorobutan-2-amine
SMILESC[C@@H](CC(F)(F)F)NC[C@H]1CCO[C@@H]1C(C)(C)C
InChIInChI=1S/C13H24F3NO/c1-9(7-13(14,15)16)17-8-10-5-6-18-11(10)12(2,3)4/h9-11,17H,5-8H2,1-4H3/t9-,10+,11-/m0/s1
InChIKeyXECRRRIEEYFGLS-AXFHLTTASA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-4,4,4-trifluorobutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 53621897
(2S)-4-(1-fluoroethoxymethyl)-2-propan-2-ylpyrrolidine
CID 132093745
N-ethyl-2,2-dimethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 55090935
2,2-dimethyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490775
N-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentyl]cyclopropanamine
CID 62528920
4-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 62529713
N-tert-butyl-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 62530500
N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 62530933
N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718675
2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
CID 62723630
N-tert-butyl-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 62724022
2-methyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 62725422

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-4,4,4-trifluorobutan-2-amine?
The IUPAC name of (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-4,4,4-trifluorobutan-2-amine (CID 129340353) is (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-4,4,4-trifluorobutan-2-amine.
What is the SMILES notation for (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-4,4,4-trifluorobutan-2-amine?
The canonical SMILES for (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-4,4,4-trifluorobutan-2-amine is C[C@@H](CC(F)(F)F)NC[C@H]1CCO[C@@H]1C(C)(C)C.
What is the InChIKey of (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-4,4,4-trifluorobutan-2-amine?
The InChIKey is XECRRRIEEYFGLS-AXFHLTTASA-N. The full InChI is InChI=1S/C13H24F3NO/c1-9(7-13(14,15)16)17-8-10-5-6-18-11(10)12(2,3)4/h9-11,17H,5-8H2,1-4H3/t9-,10+,11-/m0/s1.
What are the key properties of (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-4,4,4-trifluorobutan-2-amine?
(2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-4,4,4-trifluorobutan-2-amine has a molecular weight of 267.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-4,4,4-trifluorobutan-2-amine is sourced from PubChem (CID 129340353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).