tert-butyl N-[(2R,4S)-5,5,5-trifluoro-1-hydroxy-4-methylpentan-2-yl]carbamate

C11H20F3NO3 — CID 86593507

IUPACtert-butyl N-[(2R,4S)-5,5,5-trifluoro-1-hydroxy-4-methylpentan-2-yl]carbamate
SMILESC[C@@H](C[C@H](CO)NC(=O)OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-7(11(12,13)14)5-8(6-16)15-9(17)18-10(2,3)4/h7-8,16H,5-6H2,1-4H3,(H,15,17)/t7-,8+/m0/s1
InChIKeyHEOHJTUKNVIAMZ-JGVFFNPUSA-N
MW271.28 g/mol
LogP2.46
Rot. Bonds4

About tert-butyl N-[(2R,4S)-5,5,5-trifluoro-1-hydroxy-4-methylpentan-2-yl]carbamate

tert-butyl N-[(2R,4S)-5,5,5-trifluoro-1-hydroxy-4-methylpentan-2-yl]carbamate (PubChem CID 86593507) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is tert-butyl N-[(2R,4S)-5,5,5-trifluoro-1-hydroxy-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,4S)-5,5,5-trifluoro-1-hydroxy-4-methylpentan-2-yl]carbamate
PubChem CID86593507
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC Nametert-butyl N-[(2R,4S)-5,5,5-trifluoro-1-hydroxy-4-methylpentan-2-yl]carbamate
SMILESC[C@@H](C[C@H](CO)NC(=O)OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-7(11(12,13)14)5-8(6-16)15-9(17)18-10(2,3)4/h7-8,16H,5-6H2,1-4H3,(H,15,17)/t7-,8+/m0/s1
InChIKeyHEOHJTUKNVIAMZ-JGVFFNPUSA-N
XLogP2.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,4S)-5,5,5-trifluoro-1-hydroxy-4-methylpentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,4S)-5,5,5-trifluoro-1-hydroxy-4-methylpentan-2-yl]carbamate (CID 86593507) is tert-butyl N-[(2R,4S)-5,5,5-trifluoro-1-hydroxy-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,4S)-5,5,5-trifluoro-1-hydroxy-4-methylpentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,4S)-5,5,5-trifluoro-1-hydroxy-4-methylpentan-2-yl]carbamate is C[C@@H](C[C@H](CO)NC(=O)OC(C)(C)C)C(F)(F)F.
What is the InChIKey of tert-butyl N-[(2R,4S)-5,5,5-trifluoro-1-hydroxy-4-methylpentan-2-yl]carbamate?
The InChIKey is HEOHJTUKNVIAMZ-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H20F3NO3/c1-7(11(12,13)14)5-8(6-16)15-9(17)18-10(2,3)4/h7-8,16H,5-6H2,1-4H3,(H,15,17)/t7-,8+/m0/s1.
What are the key properties of tert-butyl N-[(2R,4S)-5,5,5-trifluoro-1-hydroxy-4-methylpentan-2-yl]carbamate?
tert-butyl N-[(2R,4S)-5,5,5-trifluoro-1-hydroxy-4-methylpentan-2-yl]carbamate has a molecular weight of 271.28 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,4S)-5,5,5-trifluoro-1-hydroxy-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 86593507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).