[(3R)-4-methoxy-3-(methylamino)butyl] N-(2,2,2-trifluoroethyl)carbamate;molecular hydrogen

C9H21F3N2O3 — CID 144589468

IUPAC[(3R)-4-methoxy-3-(methylamino)butyl] N-(2,2,2-trifluoroethyl)carbamate;molecular hydrogen
SMILESCN[C@H](CCOC(=O)NCC(F)(F)F)COC.[H][H].[H][H]
InChIInChI=1S/C9H17F3N2O3.2H2/c1-13-7(5-16-2)3-4-17-8(15)14-6-9(10,11)12;;/h7,13H,3-6H2,1-2H3,(H,14,15);2*1H/t7-;;/m1../s1
InChIKeyWSUKUVKHTZHXTJ-XCUBXKJBSA-N
MW262.27 g/mol
LogP1.39
Rot. Bonds7

About [(3R)-4-methoxy-3-(methylamino)butyl] N-(2,2,2-trifluoroethyl)carbamate;molecular hydrogen

[(3R)-4-methoxy-3-(methylamino)butyl] N-(2,2,2-trifluoroethyl)carbamate;molecular hydrogen (PubChem CID 144589468) has the molecular formula C9H21F3N2O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is [(3R)-4-methoxy-3-(methylamino)butyl] N-(2,2,2-trifluoroethyl)carbamate;molecular hydrogen.

Molecular Properties

Compound Name[(3R)-4-methoxy-3-(methylamino)butyl] N-(2,2,2-trifluoroethyl)carbamate;molecular hydrogen
PubChem CID144589468
Molecular FormulaC9H21F3N2O3
Molecular Weight262.27 g/mol
Exact Mass262.15
IUPAC Name[(3R)-4-methoxy-3-(methylamino)butyl] N-(2,2,2-trifluoroethyl)carbamate;molecular hydrogen
SMILESCN[C@H](CCOC(=O)NCC(F)(F)F)COC.[H][H].[H][H]
InChIInChI=1S/C9H17F3N2O3.2H2/c1-13-7(5-16-2)3-4-17-8(15)14-6-9(10,11)12;;/h7,13H,3-6H2,1-2H3,(H,14,15);2*1H/t7-;;/m1../s1
InChIKeyWSUKUVKHTZHXTJ-XCUBXKJBSA-N
XLogP1.39
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-4-methoxy-3-(methylamino)butyl] N-(2,2,2-trifluoroethyl)carbamate;molecular hydrogen?
The IUPAC name of [(3R)-4-methoxy-3-(methylamino)butyl] N-(2,2,2-trifluoroethyl)carbamate;molecular hydrogen (CID 144589468) is [(3R)-4-methoxy-3-(methylamino)butyl] N-(2,2,2-trifluoroethyl)carbamate;molecular hydrogen.
What is the SMILES notation for [(3R)-4-methoxy-3-(methylamino)butyl] N-(2,2,2-trifluoroethyl)carbamate;molecular hydrogen?
The canonical SMILES for [(3R)-4-methoxy-3-(methylamino)butyl] N-(2,2,2-trifluoroethyl)carbamate;molecular hydrogen is CN[C@H](CCOC(=O)NCC(F)(F)F)COC.[H][H].[H][H].
What is the InChIKey of [(3R)-4-methoxy-3-(methylamino)butyl] N-(2,2,2-trifluoroethyl)carbamate;molecular hydrogen?
The InChIKey is WSUKUVKHTZHXTJ-XCUBXKJBSA-N. The full InChI is InChI=1S/C9H17F3N2O3.2H2/c1-13-7(5-16-2)3-4-17-8(15)14-6-9(10,11)12;;/h7,13H,3-6H2,1-2H3,(H,14,15);2*1H/t7-;;/m1../s1.
What are the key properties of [(3R)-4-methoxy-3-(methylamino)butyl] N-(2,2,2-trifluoroethyl)carbamate;molecular hydrogen?
[(3R)-4-methoxy-3-(methylamino)butyl] N-(2,2,2-trifluoroethyl)carbamate;molecular hydrogen has a molecular weight of 262.27 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-methoxy-3-(methylamino)butyl] N-(2,2,2-trifluoroethyl)carbamate;molecular hydrogen is sourced from PubChem (CID 144589468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).