tert-butyl N-[(2R)-1,1-dideuterio-1-(difluoromethoxy)-3-hydroxypropan-2-yl]carbamate

C9H17F2NO4 — CID 175973536

IUPACtert-butyl N-[(2R)-1,1-dideuterio-1-(difluoromethoxy)-3-hydroxypropan-2-yl]carbamate
SMILES[2H]C([2H])(OC(F)F)[C@@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H17F2NO4/c1-9(2,3)16-8(14)12-6(4-13)5-15-7(10)11/h6-7,13H,4-5H2,1-3H3,(H,12,14)/t6-/m1/s1/i5D2
InChIKeySDIAVRPXCNRBRJ-LQTPUXHVSA-N
MW243.25 g/mol
LogP1.11
Rot. Bonds5

About tert-butyl N-[(2R)-1,1-dideuterio-1-(difluoromethoxy)-3-hydroxypropan-2-yl]carbamate

tert-butyl N-[(2R)-1,1-dideuterio-1-(difluoromethoxy)-3-hydroxypropan-2-yl]carbamate (PubChem CID 175973536) has the molecular formula C9H17F2NO4 and a molecular weight of 243.25 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1,1-dideuterio-1-(difluoromethoxy)-3-hydroxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1,1-dideuterio-1-(difluoromethoxy)-3-hydroxypropan-2-yl]carbamate
PubChem CID175973536
Molecular FormulaC9H17F2NO4
Molecular Weight243.25 g/mol
Exact Mass243.13
IUPAC Nametert-butyl N-[(2R)-1,1-dideuterio-1-(difluoromethoxy)-3-hydroxypropan-2-yl]carbamate
SMILES[2H]C([2H])(OC(F)F)[C@@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H17F2NO4/c1-9(2,3)16-8(14)12-6(4-13)5-15-7(10)11/h6-7,13H,4-5H2,1-3H3,(H,12,14)/t6-/m1/s1/i5D2
InChIKeySDIAVRPXCNRBRJ-LQTPUXHVSA-N
XLogP1.11
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
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tert-butyl N-(5,5,5-trifluoro-1-hydroxypentan-2-yl)carbamate
CID 86710332
tert-butyl N-(1,5-dihydroxy-4,4-dimethylpentan-2-yl)carbamate
CID 20792131
tert-butyl N-[(2R)-4-amino-1-hydroxy-4-oxobutan-2-yl]carbamate
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tert-butyl N-(4-amino-1-hydroxy-4-oxobutan-2-yl)carbamate
CID 53396005
tert-butyl N-[(2R)-1-hydroxyoctadecan-2-yl]carbamate
CID 101217988
sodium;boranuide;tert-butyl (3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 173145039
tert-butyl N-[(2S)-1-fluoro-4-hydroxybutan-2-yl]carbamate
CID 93002503
tert-butyl N-[(2S)-1-ethylsulfanyl-3-hydroxypropan-2-yl]carbamate
CID 23650782
tert-butyl N-[(E,2R)-1-hydroxyhex-4-en-2-yl]carbamate
CID 97300100
(1-deuterio-2-methylpropan-2-yl) N-[(2R)-1-hydroxy-3-sulfanylpropan-2-yl]carbamate
CID 162390279

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1,1-dideuterio-1-(difluoromethoxy)-3-hydroxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1,1-dideuterio-1-(difluoromethoxy)-3-hydroxypropan-2-yl]carbamate (CID 175973536) is tert-butyl N-[(2R)-1,1-dideuterio-1-(difluoromethoxy)-3-hydroxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1,1-dideuterio-1-(difluoromethoxy)-3-hydroxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1,1-dideuterio-1-(difluoromethoxy)-3-hydroxypropan-2-yl]carbamate is [2H]C([2H])(OC(F)F)[C@@H](CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1,1-dideuterio-1-(difluoromethoxy)-3-hydroxypropan-2-yl]carbamate?
The InChIKey is SDIAVRPXCNRBRJ-LQTPUXHVSA-N. The full InChI is InChI=1S/C9H17F2NO4/c1-9(2,3)16-8(14)12-6(4-13)5-15-7(10)11/h6-7,13H,4-5H2,1-3H3,(H,12,14)/t6-/m1/s1/i5D2.
What are the key properties of tert-butyl N-[(2R)-1,1-dideuterio-1-(difluoromethoxy)-3-hydroxypropan-2-yl]carbamate?
tert-butyl N-[(2R)-1,1-dideuterio-1-(difluoromethoxy)-3-hydroxypropan-2-yl]carbamate has a molecular weight of 243.25 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1,1-dideuterio-1-(difluoromethoxy)-3-hydroxypropan-2-yl]carbamate is sourced from PubChem (CID 175973536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).