tert-butyl N-(3,3-dicarbonofluoridoylcyclobutyl)carbamate

C11H15F2NO4 — CID 155092613

IUPACtert-butyl N-(3,3-dicarbonofluoridoylcyclobutyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(C(=O)F)(C(=O)F)C1
InChIInChI=1S/C11H15F2NO4/c1-10(2,3)18-9(17)14-6-4-11(5-6,7(12)15)8(13)16/h6H,4-5H2,1-3H3,(H,14,17)
InChIKeyWFEXUVHIQXDSCV-UHFFFAOYSA-N
MW263.24 g/mol
LogP1.65
Rot. Bonds3

About tert-butyl N-(3,3-dicarbonofluoridoylcyclobutyl)carbamate

tert-butyl N-(3,3-dicarbonofluoridoylcyclobutyl)carbamate (PubChem CID 155092613) has the molecular formula C11H15F2NO4 and a molecular weight of 263.24 g/mol. Its IUPAC name is tert-butyl N-(3,3-dicarbonofluoridoylcyclobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3,3-dicarbonofluoridoylcyclobutyl)carbamate
PubChem CID155092613
Molecular FormulaC11H15F2NO4
Molecular Weight263.24 g/mol
Exact Mass263.10
IUPAC Nametert-butyl N-(3,3-dicarbonofluoridoylcyclobutyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(C(=O)F)(C(=O)F)C1
InChIInChI=1S/C11H15F2NO4/c1-10(2,3)18-9(17)14-6-4-11(5-6,7(12)15)8(13)16/h6H,4-5H2,1-3H3,(H,14,17)
InChIKeyWFEXUVHIQXDSCV-UHFFFAOYSA-N
XLogP1.65
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(3,3-dimethoxycyclobutyl)carbamate
CID 142054635
tert-butyl N-(3-amino-3-methylcyclobutyl)carbamate
CID 71280569
tert-butyl N-spiro[3.3]heptan-2-ylcarbamate
CID 129317691
tert-butyl N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate
CID 90701493
tert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate;hydrochloride
CID 146082168
tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride
CID 86767491
tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate
CID 58484972
tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate
CID 39872257
tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate
CID 52908307
bis(tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate);oxalic acid
CID 91663877
tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866
tert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate
CID 68605714

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3,3-dicarbonofluoridoylcyclobutyl)carbamate?
The IUPAC name of tert-butyl N-(3,3-dicarbonofluoridoylcyclobutyl)carbamate (CID 155092613) is tert-butyl N-(3,3-dicarbonofluoridoylcyclobutyl)carbamate.
What is the SMILES notation for tert-butyl N-(3,3-dicarbonofluoridoylcyclobutyl)carbamate?
The canonical SMILES for tert-butyl N-(3,3-dicarbonofluoridoylcyclobutyl)carbamate is CC(C)(C)OC(=O)NC1CC(C(=O)F)(C(=O)F)C1.
What is the InChIKey of tert-butyl N-(3,3-dicarbonofluoridoylcyclobutyl)carbamate?
The InChIKey is WFEXUVHIQXDSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO4/c1-10(2,3)18-9(17)14-6-4-11(5-6,7(12)15)8(13)16/h6H,4-5H2,1-3H3,(H,14,17).
What are the key properties of tert-butyl N-(3,3-dicarbonofluoridoylcyclobutyl)carbamate?
tert-butyl N-(3,3-dicarbonofluoridoylcyclobutyl)carbamate has a molecular weight of 263.24 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3,3-dicarbonofluoridoylcyclobutyl)carbamate is sourced from PubChem (CID 155092613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).