tert-butyl N-(2,2-difluoro-3-oxobutyl)carbamate

C9H15F2NO3 — CID 129292881

IUPACtert-butyl N-(2,2-difluoro-3-oxobutyl)carbamate
SMILESCC(=O)C(F)(F)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H15F2NO3/c1-6(13)9(10,11)5-12-7(14)15-8(2,3)4/h5H2,1-4H3,(H,12,14)
InChIKeyVRVPAWGXBPJBGH-UHFFFAOYSA-N
MW223.22 g/mol
LogP1.74
Rot. Bonds3

About tert-butyl N-(2,2-difluoro-3-oxobutyl)carbamate

tert-butyl N-(2,2-difluoro-3-oxobutyl)carbamate (PubChem CID 129292881) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is tert-butyl N-(2,2-difluoro-3-oxobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,2-difluoro-3-oxobutyl)carbamate
PubChem CID129292881
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC Nametert-butyl N-(2,2-difluoro-3-oxobutyl)carbamate
SMILESCC(=O)C(F)(F)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H15F2NO3/c1-6(13)9(10,11)5-12-7(14)15-8(2,3)4/h5H2,1-4H3,(H,12,14)
InChIKeyVRVPAWGXBPJBGH-UHFFFAOYSA-N
XLogP1.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(3-cyclopropyl-2,2-difluoro-3-oxopropyl)carbamate
CID 165471431
2-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 142350592
tert-butyl N-[(2R)-2-amino-3,3,3-trifluoro-2-methylpropyl]carbamate
CID 178201471
tert-butyl N-(bromomethyl)carbamate
CID 20614913
3,3-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
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2,2-difluoro-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 178200641
tert-butyl N-(2-methyl-2-sulfanylpropyl)carbamate
CID 45092056
[(1Z,3Z)-6,6-difluoro-5-methylidene-7-[(2-methylpropan-2-yl)oxycarbonylamino]hepta-1,3-dienyl]-hydroxyazanium
CID 143038671
tert-butyl N-[2,2-bis(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 12986877
tert-butyl N-(2-ethyl-2-methylbutyl)carbamate
CID 90843997
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
tert-butyl N-[2-methyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]disulfanyl]propyl]carbamate
CID 140880756

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,2-difluoro-3-oxobutyl)carbamate?
The IUPAC name of tert-butyl N-(2,2-difluoro-3-oxobutyl)carbamate (CID 129292881) is tert-butyl N-(2,2-difluoro-3-oxobutyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,2-difluoro-3-oxobutyl)carbamate?
The canonical SMILES for tert-butyl N-(2,2-difluoro-3-oxobutyl)carbamate is CC(=O)C(F)(F)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2,2-difluoro-3-oxobutyl)carbamate?
The InChIKey is VRVPAWGXBPJBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO3/c1-6(13)9(10,11)5-12-7(14)15-8(2,3)4/h5H2,1-4H3,(H,12,14).
What are the key properties of tert-butyl N-(2,2-difluoro-3-oxobutyl)carbamate?
tert-butyl N-(2,2-difluoro-3-oxobutyl)carbamate has a molecular weight of 223.22 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,2-difluoro-3-oxobutyl)carbamate is sourced from PubChem (CID 129292881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).