tert-butyl N-[3,3-difluoro-1-(methylaminomethyl)cyclobutyl]carbamate

C11H20F2N2O2 — CID 151052827

IUPACtert-butyl N-[3,3-difluoro-1-(methylaminomethyl)cyclobutyl]carbamate
SMILESCNCC1(NC(=O)OC(C)(C)C)CC(F)(F)C1
InChIInChI=1S/C11H20F2N2O2/c1-9(2,3)17-8(16)15-10(7-14-4)5-11(12,13)6-10/h14H,5-7H2,1-4H3,(H,15,16)
InChIKeyMEMMCZMYCYFZSF-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.90
Rot. Bonds3

About tert-butyl N-[3,3-difluoro-1-(methylaminomethyl)cyclobutyl]carbamate

tert-butyl N-[3,3-difluoro-1-(methylaminomethyl)cyclobutyl]carbamate (PubChem CID 151052827) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is tert-butyl N-[3,3-difluoro-1-(methylaminomethyl)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3,3-difluoro-1-(methylaminomethyl)cyclobutyl]carbamate
PubChem CID151052827
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Nametert-butyl N-[3,3-difluoro-1-(methylaminomethyl)cyclobutyl]carbamate
SMILESCNCC1(NC(=O)OC(C)(C)C)CC(F)(F)C1
InChIInChI=1S/C11H20F2N2O2/c1-9(2,3)17-8(16)15-10(7-14-4)5-11(12,13)6-10/h14H,5-7H2,1-4H3,(H,15,16)
InChIKeyMEMMCZMYCYFZSF-UHFFFAOYSA-N
XLogP1.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(methylaminomethyl)cyclopropyl]carbamate
CID 10798106
tert-butyl N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate
CID 115071660
sodium 3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
CID 118957644
tert-butyl N-[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]carbamate
CID 15421754
tert-butyl N-(1-methylcyclopropyl)carbamate;ethane
CID 144869445
tert-butyl N-[3-(fluoromethyl)azetidin-3-yl]carbamate
CID 135392464
tert-butyl N-[1-(aminomethyl)-2,2-difluorocyclopropyl]carbamate
CID 167726383
tert-butyl N-(1-cyano-2,2-difluorocyclopropyl)carbamate
CID 45158925
tert-butyl N-[1-(2-oxopropyl)cyclopropyl]carbamate
CID 115071653
tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771
tert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate
CID 115071731
tert-butyl N-(3,3-difluoro-1-phenylcyclobutyl)carbamate
CID 171921911

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3,3-difluoro-1-(methylaminomethyl)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3,3-difluoro-1-(methylaminomethyl)cyclobutyl]carbamate (CID 151052827) is tert-butyl N-[3,3-difluoro-1-(methylaminomethyl)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3,3-difluoro-1-(methylaminomethyl)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3,3-difluoro-1-(methylaminomethyl)cyclobutyl]carbamate is CNCC1(NC(=O)OC(C)(C)C)CC(F)(F)C1.
What is the InChIKey of tert-butyl N-[3,3-difluoro-1-(methylaminomethyl)cyclobutyl]carbamate?
The InChIKey is MEMMCZMYCYFZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-9(2,3)17-8(16)15-10(7-14-4)5-11(12,13)6-10/h14H,5-7H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-[3,3-difluoro-1-(methylaminomethyl)cyclobutyl]carbamate?
tert-butyl N-[3,3-difluoro-1-(methylaminomethyl)cyclobutyl]carbamate has a molecular weight of 250.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3,3-difluoro-1-(methylaminomethyl)cyclobutyl]carbamate is sourced from PubChem (CID 151052827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).