tert-butyl N-[(2R)-1-fluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate

C11H20FNO3 — CID 86760074

IUPACtert-butyl N-[(2R)-1-fluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](C(=O)F)C(C)(C)C
InChIInChI=1S/C11H20FNO3/c1-10(2,3)7(8(12)14)13-9(15)16-11(4,5)6/h7H,1-6H3,(H,13,15)/t7-/m0/s1
InChIKeyGAFCIZIHCRAFNI-ZETCQYMHSA-N
MW233.28 g/mol
LogP2.42
Rot. Bonds2

About tert-butyl N-[(2R)-1-fluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate

tert-butyl N-[(2R)-1-fluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate (PubChem CID 86760074) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-fluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-fluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate
PubChem CID86760074
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Nametert-butyl N-[(2R)-1-fluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](C(=O)F)C(C)(C)C
InChIInChI=1S/C11H20FNO3/c1-10(2,3)7(8(12)14)13-9(15)16-11(4,5)6/h7H,1-6H3,(H,13,15)/t7-/m0/s1
InChIKeyGAFCIZIHCRAFNI-ZETCQYMHSA-N
XLogP2.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2,2-dimethyl-4-oxopentan-3-yl)carbamate;ethane
CID 145466117
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CID 123936360
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-[(2S)-3,3-dimethyl-1-oxo-1-pyrrol-1-ylbutan-2-yl]carbamate
CID 174773944
tert-butyl N-[(2S)-1-[carbamoyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 87212977
tert-butyl N-[(2R)-3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
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tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate
CID 23292073
tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate
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(2S)-4-fluoro-3-(fluoromethyl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
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tert-butyl N-[3-hydroxy-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
CID 90203567
but-3-enyl (2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 58139552
tert-butyl N-[(1S)-1-cyclopentyl-2-fluoro-2-oxoethyl]carbamate
CID 87401436

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-fluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-fluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate (CID 86760074) is tert-butyl N-[(2R)-1-fluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-fluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-fluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](C(=O)F)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-fluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The InChIKey is GAFCIZIHCRAFNI-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H20FNO3/c1-10(2,3)7(8(12)14)13-9(15)16-11(4,5)6/h7H,1-6H3,(H,13,15)/t7-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-1-fluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
tert-butyl N-[(2R)-1-fluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate has a molecular weight of 233.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-fluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 86760074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).