tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen

C12H23F3N2O2 — CID 158239331

IUPACtert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen
SMILESCC(C)(C)OC(=O)NC1CC[C@@H](NCC(F)(F)F)C1.[H][H]
InChIInChI=1S/C12H21F3N2O2.H2/c1-11(2,3)19-10(18)17-9-5-4-8(6-9)16-7-12(13,14)15;/h8-9,16H,4-7H2,1-3H3,(H,17,18);1H/t8-,9?;/m1./s1
InChIKeyGFIWBTLKJGOLDI-URIXSHMWSA-N
MW284.32 g/mol
LogP2.83
Rot. Bonds3

About tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen

tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen (PubChem CID 158239331) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen.

Molecular Properties

Compound Nametert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen
PubChem CID158239331
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC Nametert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen
SMILESCC(C)(C)OC(=O)NC1CC[C@@H](NCC(F)(F)F)C1.[H][H]
InChIInChI=1S/C12H21F3N2O2.H2/c1-11(2,3)19-10(18)17-9-5-4-8(6-9)16-7-12(13,14)15;/h8-9,16H,4-7H2,1-3H3,(H,17,18);1H/t8-,9?;/m1./s1
InChIKeyGFIWBTLKJGOLDI-URIXSHMWSA-N
XLogP2.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]carbamate
CID 71991481
tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate
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tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate
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tert-butyl N-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]cyclopentyl]carbamate
CID 106251342
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
CID 79461532
tert-butyl N-[3-(thiolan-2-ylmethylamino)cyclopentyl]carbamate
CID 80584361
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-(3,3,3-trifluoropropanoylamino)cyclohexyl]carbamate
CID 86804554
tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate
CID 79462575
tert-butyl N-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate
CID 103720230

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen?
The IUPAC name of tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen (CID 158239331) is tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen.
What is the SMILES notation for tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen?
The canonical SMILES for tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen is CC(C)(C)OC(=O)NC1CC[C@@H](NCC(F)(F)F)C1.[H][H].
What is the InChIKey of tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen?
The InChIKey is GFIWBTLKJGOLDI-URIXSHMWSA-N. The full InChI is InChI=1S/C12H21F3N2O2.H2/c1-11(2,3)19-10(18)17-9-5-4-8(6-9)16-7-12(13,14)15;/h8-9,16H,4-7H2,1-3H3,(H,17,18);1H/t8-,9?;/m1./s1.
What are the key properties of tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen?
tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen has a molecular weight of 284.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen is sourced from PubChem (CID 158239331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).