tert-butyl N-[(2S,3R)-2-(1,1-difluoro-2-hydroxyethyl)oxolan-3-yl]carbamate

C11H19F2NO4 — CID 162582795

IUPACtert-butyl N-[(2S,3R)-2-(1,1-difluoro-2-hydroxyethyl)oxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(F)(F)CO
InChIInChI=1S/C11H19F2NO4/c1-10(2,3)18-9(16)14-7-4-5-17-8(7)11(12,13)6-15/h7-8,15H,4-6H2,1-3H3,(H,14,16)/t7-,8+/m1/s1
InChIKeyDVYIDBRJMAITGO-SFYZADRCSA-N
MW267.27 g/mol
LogP1.30
Rot. Bonds3

About tert-butyl N-[(2S,3R)-2-(1,1-difluoro-2-hydroxyethyl)oxolan-3-yl]carbamate

tert-butyl N-[(2S,3R)-2-(1,1-difluoro-2-hydroxyethyl)oxolan-3-yl]carbamate (PubChem CID 162582795) has the molecular formula C11H19F2NO4 and a molecular weight of 267.27 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R)-2-(1,1-difluoro-2-hydroxyethyl)oxolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R)-2-(1,1-difluoro-2-hydroxyethyl)oxolan-3-yl]carbamate
PubChem CID162582795
Molecular FormulaC11H19F2NO4
Molecular Weight267.27 g/mol
Exact Mass267.13
IUPAC Nametert-butyl N-[(2S,3R)-2-(1,1-difluoro-2-hydroxyethyl)oxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(F)(F)CO
InChIInChI=1S/C11H19F2NO4/c1-10(2,3)18-9(16)14-7-4-5-17-8(7)11(12,13)6-15/h7-8,15H,4-6H2,1-3H3,(H,14,16)/t7-,8+/m1/s1
InChIKeyDVYIDBRJMAITGO-SFYZADRCSA-N
XLogP1.30
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R)-2-(1,1-difluoro-2-hydroxyethyl)oxolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3R)-2-(1,1-difluoro-2-hydroxyethyl)oxolan-3-yl]carbamate (CID 162582795) is tert-butyl N-[(2S,3R)-2-(1,1-difluoro-2-hydroxyethyl)oxolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R)-2-(1,1-difluoro-2-hydroxyethyl)oxolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3R)-2-(1,1-difluoro-2-hydroxyethyl)oxolan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(F)(F)CO.
What is the InChIKey of tert-butyl N-[(2S,3R)-2-(1,1-difluoro-2-hydroxyethyl)oxolan-3-yl]carbamate?
The InChIKey is DVYIDBRJMAITGO-SFYZADRCSA-N. The full InChI is InChI=1S/C11H19F2NO4/c1-10(2,3)18-9(16)14-7-4-5-17-8(7)11(12,13)6-15/h7-8,15H,4-6H2,1-3H3,(H,14,16)/t7-,8+/m1/s1.
What are the key properties of tert-butyl N-[(2S,3R)-2-(1,1-difluoro-2-hydroxyethyl)oxolan-3-yl]carbamate?
tert-butyl N-[(2S,3R)-2-(1,1-difluoro-2-hydroxyethyl)oxolan-3-yl]carbamate has a molecular weight of 267.27 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3R)-2-(1,1-difluoro-2-hydroxyethyl)oxolan-3-yl]carbamate is sourced from PubChem (CID 162582795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).