tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2,3-dihydroxypropyl]carbamate

C12H23F2NO5 — CID 163209491

IUPACtert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2,3-dihydroxypropyl]carbamate
SMILESC[C@H](CN(C[C@H](O)CO)C(=O)OC(C)(C)C)OC(F)F
InChIInChI=1S/C12H23F2NO5/c1-8(19-10(13)14)5-15(6-9(17)7-16)11(18)20-12(2,3)4/h8-10,16-17H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyIXGYFNRXQKZOSM-BDAKNGLRSA-N
MW299.31 g/mol
LogP1.20
Rot. Bonds7

About tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2,3-dihydroxypropyl]carbamate

tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2,3-dihydroxypropyl]carbamate (PubChem CID 163209491) has the molecular formula C12H23F2NO5 and a molecular weight of 299.31 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2,3-dihydroxypropyl]carbamate
PubChem CID163209491
Molecular FormulaC12H23F2NO5
Molecular Weight299.31 g/mol
Exact Mass299.15
IUPAC Nametert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2,3-dihydroxypropyl]carbamate
SMILESC[C@H](CN(C[C@H](O)CO)C(=O)OC(C)(C)C)OC(F)F
InChIInChI=1S/C12H23F2NO5/c1-8(19-10(13)14)5-15(6-9(17)7-16)11(18)20-12(2,3)4/h8-10,16-17H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyIXGYFNRXQKZOSM-BDAKNGLRSA-N
XLogP1.20
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N,N-bis(2-hydroxypentyl)carbamate
CID 165352440
tert-butyl N-(2,3-dihydroxypropyl)-N-[(4-fluorophenyl)methyl]carbamate
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tert-butyl N-tert-butyl-N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 102402689
tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate
CID 123629374
tert-butyl N-(2-hydroxybutyl)-N-(2-hydroxyethyl)carbamate
CID 140978282
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl N-[(2S)-2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-N-(2-methylpropyl)carbamate
CID 21309176
tert-butyl N-(2-fluoropropyl)-N-methylcarbamate
CID 123325523
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
tert-butyl N-(2,2-dihydroxyethyl)-N-(2,2-dimethylpropyl)carbamate
CID 143525018
tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 91279128
tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate
CID 97184684

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2,3-dihydroxypropyl]carbamate (CID 163209491) is tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2,3-dihydroxypropyl]carbamate is C[C@H](CN(C[C@H](O)CO)C(=O)OC(C)(C)C)OC(F)F.
What is the InChIKey of tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2,3-dihydroxypropyl]carbamate?
The InChIKey is IXGYFNRXQKZOSM-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H23F2NO5/c1-8(19-10(13)14)5-15(6-9(17)7-16)11(18)20-12(2,3)4/h8-10,16-17H,5-7H2,1-4H3/t8-,9+/m1/s1.
What are the key properties of tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2,3-dihydroxypropyl]carbamate?
tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2,3-dihydroxypropyl]carbamate has a molecular weight of 299.31 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 163209491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).