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

C8H13F2NO3 — CID 105462603

IUPACtert-butyl N-(3,3-difluoro-2-oxopropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)C(F)F
InChIInChI=1S/C8H13F2NO3/c1-8(2,3)14-7(13)11-4-5(12)6(9)10/h6H,4H2,1-3H3,(H,11,13)
InChIKeyCUBVRCOYWKDRBS-UHFFFAOYSA-N
MW209.19 g/mol
LogP1.35
Rot. Bonds3

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

tert-butyl N-(3,3-difluoro-2-oxopropyl)carbamate (PubChem CID 105462603) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is tert-butyl N-(3,3-difluoro-2-oxopropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3,3-difluoro-2-oxopropyl)carbamate
PubChem CID105462603
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Nametert-butyl N-(3,3-difluoro-2-oxopropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)C(F)F
InChIInChI=1S/C8H13F2NO3/c1-8(2,3)14-7(13)11-4-5(12)6(9)10/h6H,4H2,1-3H3,(H,11,13)
InChIKeyCUBVRCOYWKDRBS-UHFFFAOYSA-N
XLogP1.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(3,3,3-trifluoro-2-oxopropyl)carbamate
CID 129451512
1,1-diethoxyethyl-[1-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]phosphinic acid
CID 22178352
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
cesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 23698633
tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate
CID 144625472
methyl 2-cyano-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutanoate
CID 101272333
tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate
CID 89001171
ethane-1,2-diol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 175289352
tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride
CID 91827965
tert-butyl N-(3-bromo-2-oxopropyl)carbamate
CID 53439192
2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 58333495
tert-butyl N-(bromomethyl)carbamate
CID 20614913

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3,3-difluoro-2-oxopropyl)carbamate?
The IUPAC name of tert-butyl N-(3,3-difluoro-2-oxopropyl)carbamate (CID 105462603) is tert-butyl N-(3,3-difluoro-2-oxopropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3,3-difluoro-2-oxopropyl)carbamate?
The canonical SMILES for tert-butyl N-(3,3-difluoro-2-oxopropyl)carbamate is CC(C)(C)OC(=O)NCC(=O)C(F)F.
What is the InChIKey of tert-butyl N-(3,3-difluoro-2-oxopropyl)carbamate?
The InChIKey is CUBVRCOYWKDRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c1-8(2,3)14-7(13)11-4-5(12)6(9)10/h6H,4H2,1-3H3,(H,11,13).
What are the key properties of tert-butyl N-(3,3-difluoro-2-oxopropyl)carbamate?
tert-butyl N-(3,3-difluoro-2-oxopropyl)carbamate has a molecular weight of 209.19 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3,3-difluoro-2-oxopropyl)carbamate is sourced from PubChem (CID 105462603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).