tert-butyl N-(1-fluoro-3-oxopropan-2-yl)carbamate

C8H14FNO3 — CID 84719642

IUPACtert-butyl N-(1-fluoro-3-oxopropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(C=O)CF
InChIInChI=1S/C8H14FNO3/c1-8(2,3)13-7(12)10-6(4-9)5-11/h5-6H,4H2,1-3H3,(H,10,12)
InChIKeyAVPMOONUAYFPKA-UHFFFAOYSA-N
MW191.20 g/mol
LogP1.05
Rot. Bonds3

About tert-butyl N-(1-fluoro-3-oxopropan-2-yl)carbamate

tert-butyl N-(1-fluoro-3-oxopropan-2-yl)carbamate (PubChem CID 84719642) has the molecular formula C8H14FNO3 and a molecular weight of 191.20 g/mol. Its IUPAC name is tert-butyl N-(1-fluoro-3-oxopropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-fluoro-3-oxopropan-2-yl)carbamate
PubChem CID84719642
Molecular FormulaC8H14FNO3
Molecular Weight191.20 g/mol
Exact Mass191.10
IUPAC Nametert-butyl N-(1-fluoro-3-oxopropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(C=O)CF
InChIInChI=1S/C8H14FNO3/c1-8(2,3)13-7(12)10-6(4-9)5-11/h5-6H,4H2,1-3H3,(H,10,12)
InChIKeyAVPMOONUAYFPKA-UHFFFAOYSA-N
XLogP1.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-((2S)-1-oxopropan-2-yl)carbamate
CID 7015728
tert-butyl N-((2S)-1-oxobutan-2-yl)carbamate
CID 10241556
tert-butyl N-((2S)-1-oxopentan-2-yl)carbamate
CID 10262225
tert-butyl N-(2-oxoethyl)carbamate
CID 4247255
(S)-tert-Butyl (3-methyl-1-oxobutan-2-yl)carbamate
CID 6917569
tert-butyl N-(1-oxopropan-2-yl)carbamate
CID 545705
Tert-butyl 3-methyl-1-oxobutan-2-ylcarbamate
CID 545985
((S)-1-Formyl-pent-3-ynyl)-carbamic acid tert-butyl ester
CID 44326888
tert-butyl N-((2R)-1-oxopropan-2-yl)carbamate
CID 10910049
tert-butyl N-(1-oxobutan-2-yl)carbamate
CID 11286906
tert-butyl N-[(2R)-3-methyl-1-oxobutan-2-yl]carbamate
CID 11830471
tert-butyl N-[(2R)-4-oxobutan-2-yl]carbamate
CID 25231755

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-fluoro-3-oxopropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-fluoro-3-oxopropan-2-yl)carbamate (CID 84719642) is tert-butyl N-(1-fluoro-3-oxopropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-fluoro-3-oxopropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-fluoro-3-oxopropan-2-yl)carbamate is CC(C)(C)OC(=O)NC(C=O)CF.
What is the InChIKey of tert-butyl N-(1-fluoro-3-oxopropan-2-yl)carbamate?
The InChIKey is AVPMOONUAYFPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO3/c1-8(2,3)13-7(12)10-6(4-9)5-11/h5-6H,4H2,1-3H3,(H,10,12).
What are the key properties of tert-butyl N-(1-fluoro-3-oxopropan-2-yl)carbamate?
tert-butyl N-(1-fluoro-3-oxopropan-2-yl)carbamate has a molecular weight of 191.20 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-fluoro-3-oxopropan-2-yl)carbamate is sourced from PubChem (CID 84719642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).