tert-butyl N-[(1S,2S,4S)-2-hydroxy-4-(trifluoromethoxy)cyclopentyl]carbamate

C11H18F3NO4 — CID 169260941

IUPACtert-butyl N-[(1S,2S,4S)-2-hydroxy-4-(trifluoromethoxy)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@H](OC(F)(F)F)C[C@@H]1O
InChIInChI=1S/C11H18F3NO4/c1-10(2,3)19-9(17)15-7-4-6(5-8(7)16)18-11(12,13)14/h6-8,16H,4-5H2,1-3H3,(H,15,17)/t6-,7-,8-/m0/s1
InChIKeyFTAGLGQBCGLUQA-FXQIFTODSA-N
MW285.26 g/mol
LogP1.94
Rot. Bonds2

About tert-butyl N-[(1S,2S,4S)-2-hydroxy-4-(trifluoromethoxy)cyclopentyl]carbamate

tert-butyl N-[(1S,2S,4S)-2-hydroxy-4-(trifluoromethoxy)cyclopentyl]carbamate (PubChem CID 169260941) has the molecular formula C11H18F3NO4 and a molecular weight of 285.26 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S,4S)-2-hydroxy-4-(trifluoromethoxy)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S,4S)-2-hydroxy-4-(trifluoromethoxy)cyclopentyl]carbamate
PubChem CID169260941
Molecular FormulaC11H18F3NO4
Molecular Weight285.26 g/mol
Exact Mass285.12
IUPAC Nametert-butyl N-[(1S,2S,4S)-2-hydroxy-4-(trifluoromethoxy)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@H](OC(F)(F)F)C[C@@H]1O
InChIInChI=1S/C11H18F3NO4/c1-10(2,3)19-9(17)15-7-4-6(5-8(7)16)18-11(12,13)14/h6-8,16H,4-5H2,1-3H3,(H,15,17)/t6-,7-,8-/m0/s1
InChIKeyFTAGLGQBCGLUQA-FXQIFTODSA-N
XLogP1.94
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(trifluoromethyl)cyclopropyl]carbamate
CID 126970282
(1S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 59781617
tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate
CID 154537617
methyl (1S,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 2734526
trans-methyl (3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 142048047
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[(1R,2R,4S)-4-(aminomethyl)-2-hydroxycyclopentyl]carbamate
CID 139026814
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate
CID 110144322
[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] propanoate
CID 175294543
trans-(3S,4S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 70039647
tert-butyl N-[(1R,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-en-1-yl]carbamate
CID 58822264

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S,4S)-2-hydroxy-4-(trifluoromethoxy)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S,4S)-2-hydroxy-4-(trifluoromethoxy)cyclopentyl]carbamate (CID 169260941) is tert-butyl N-[(1S,2S,4S)-2-hydroxy-4-(trifluoromethoxy)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S,4S)-2-hydroxy-4-(trifluoromethoxy)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S,4S)-2-hydroxy-4-(trifluoromethoxy)cyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@H]1C[C@H](OC(F)(F)F)C[C@@H]1O.
What is the InChIKey of tert-butyl N-[(1S,2S,4S)-2-hydroxy-4-(trifluoromethoxy)cyclopentyl]carbamate?
The InChIKey is FTAGLGQBCGLUQA-FXQIFTODSA-N. The full InChI is InChI=1S/C11H18F3NO4/c1-10(2,3)19-9(17)15-7-4-6(5-8(7)16)18-11(12,13)14/h6-8,16H,4-5H2,1-3H3,(H,15,17)/t6-,7-,8-/m0/s1.
What are the key properties of tert-butyl N-[(1S,2S,4S)-2-hydroxy-4-(trifluoromethoxy)cyclopentyl]carbamate?
tert-butyl N-[(1S,2S,4S)-2-hydroxy-4-(trifluoromethoxy)cyclopentyl]carbamate has a molecular weight of 285.26 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S,4S)-2-hydroxy-4-(trifluoromethoxy)cyclopentyl]carbamate is sourced from PubChem (CID 169260941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).