[(2S)-2-(difluoromethoxy)propyl] N-tert-butylcarbamate

C9H17F2NO3 — CID 175432714

IUPAC[(2S)-2-(difluoromethoxy)propyl] N-tert-butylcarbamate
SMILESC[C@@H](COC(=O)NC(C)(C)C)OC(F)F
InChIInChI=1S/C9H17F2NO3/c1-6(15-7(10)11)5-14-8(13)12-9(2,3)4/h6-7H,5H2,1-4H3,(H,12,13)/t6-/m0/s1
InChIKeyFIYQGWWKGBSCTH-LURJTMIESA-N
MW225.23 g/mol
LogP2.14
Rot. Bonds4

About [(2S)-2-(difluoromethoxy)propyl] N-tert-butylcarbamate

[(2S)-2-(difluoromethoxy)propyl] N-tert-butylcarbamate (PubChem CID 175432714) has the molecular formula C9H17F2NO3 and a molecular weight of 225.23 g/mol. Its IUPAC name is [(2S)-2-(difluoromethoxy)propyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2S)-2-(difluoromethoxy)propyl] N-tert-butylcarbamate
PubChem CID175432714
Molecular FormulaC9H17F2NO3
Molecular Weight225.23 g/mol
Exact Mass225.12
IUPAC Name[(2S)-2-(difluoromethoxy)propyl] N-tert-butylcarbamate
SMILESC[C@@H](COC(=O)NC(C)(C)C)OC(F)F
InChIInChI=1S/C9H17F2NO3/c1-6(15-7(10)11)5-14-8(13)12-9(2,3)4/h6-7H,5H2,1-4H3,(H,12,13)/t6-/m0/s1
InChIKeyFIYQGWWKGBSCTH-LURJTMIESA-N
XLogP2.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(difluoromethoxy)propyl] N-tert-butylcarbamate?
The IUPAC name of [(2S)-2-(difluoromethoxy)propyl] N-tert-butylcarbamate (CID 175432714) is [(2S)-2-(difluoromethoxy)propyl] N-tert-butylcarbamate.
What is the SMILES notation for [(2S)-2-(difluoromethoxy)propyl] N-tert-butylcarbamate?
The canonical SMILES for [(2S)-2-(difluoromethoxy)propyl] N-tert-butylcarbamate is C[C@@H](COC(=O)NC(C)(C)C)OC(F)F.
What is the InChIKey of [(2S)-2-(difluoromethoxy)propyl] N-tert-butylcarbamate?
The InChIKey is FIYQGWWKGBSCTH-LURJTMIESA-N. The full InChI is InChI=1S/C9H17F2NO3/c1-6(15-7(10)11)5-14-8(13)12-9(2,3)4/h6-7H,5H2,1-4H3,(H,12,13)/t6-/m0/s1.
What are the key properties of [(2S)-2-(difluoromethoxy)propyl] N-tert-butylcarbamate?
[(2S)-2-(difluoromethoxy)propyl] N-tert-butylcarbamate has a molecular weight of 225.23 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(difluoromethoxy)propyl] N-tert-butylcarbamate is sourced from PubChem (CID 175432714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).