tert-butyl N-[1-(aminomethyl)-2,2-difluorocyclopropyl]carbamate

C9H16F2N2O2 — CID 167726383

IUPACtert-butyl N-[1-(aminomethyl)-2,2-difluorocyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CN)CC1(F)F
InChIInChI=1S/C9H16F2N2O2/c1-7(2,3)15-6(14)13-8(5-12)4-9(8,10)11/h4-5,12H2,1-3H3,(H,13,14)
InChIKeyRVBAXGYUADXJFS-UHFFFAOYSA-N
MW222.23 g/mol
LogP1.25
Rot. Bonds2

About tert-butyl N-[1-(aminomethyl)-2,2-difluorocyclopropyl]carbamate

tert-butyl N-[1-(aminomethyl)-2,2-difluorocyclopropyl]carbamate (PubChem CID 167726383) has the molecular formula C9H16F2N2O2 and a molecular weight of 222.23 g/mol. Its IUPAC name is tert-butyl N-[1-(aminomethyl)-2,2-difluorocyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(aminomethyl)-2,2-difluorocyclopropyl]carbamate
PubChem CID167726383
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC Nametert-butyl N-[1-(aminomethyl)-2,2-difluorocyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CN)CC1(F)F
InChIInChI=1S/C9H16F2N2O2/c1-7(2,3)15-6(14)13-8(5-12)4-9(8,10)11/h4-5,12H2,1-3H3,(H,13,14)
InChIKeyRVBAXGYUADXJFS-UHFFFAOYSA-N
XLogP1.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]carbamate
CID 15421754
tert-butyl N-(1-cyano-2,2-difluorocyclopropyl)carbamate
CID 45158925
2,2,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
CID 167732083
tert-butyl N-(2,2-difluoro-3-methyl-1-bicyclo[1.1.1]pentanyl)carbamate
CID 167720360
tert-butyl N-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 138106118
tert-butyl N-[3,3-difluoro-1-(methylaminomethyl)cyclobutyl]carbamate
CID 151052827
tert-butyl N-[[2,2-difluoro-1-(iodomethyl)cyclopropyl]methyl]carbamate
CID 170915051
tert-butyl N-(1-methylcyclopropyl)carbamate;ethane
CID 144869445
tert-butyl N-[[5-(aminomethyl)-1-bicyclo[3.1.1]heptanyl]methyl]carbamate
CID 125461960
tert-butyl N-[3-(aminomethylsulfonyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 156832537
tert-butyl N-[3-(aminomethyl)thiolan-3-yl]carbamate
CID 84795643
tert-butyl N-[3-(2-amino-2-oxoethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 146204169

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(aminomethyl)-2,2-difluorocyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-(aminomethyl)-2,2-difluorocyclopropyl]carbamate (CID 167726383) is tert-butyl N-[1-(aminomethyl)-2,2-difluorocyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(aminomethyl)-2,2-difluorocyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(aminomethyl)-2,2-difluorocyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(CN)CC1(F)F.
What is the InChIKey of tert-butyl N-[1-(aminomethyl)-2,2-difluorocyclopropyl]carbamate?
The InChIKey is RVBAXGYUADXJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c1-7(2,3)15-6(14)13-8(5-12)4-9(8,10)11/h4-5,12H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-[1-(aminomethyl)-2,2-difluorocyclopropyl]carbamate?
tert-butyl N-[1-(aminomethyl)-2,2-difluorocyclopropyl]carbamate has a molecular weight of 222.23 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(aminomethyl)-2,2-difluorocyclopropyl]carbamate is sourced from PubChem (CID 167726383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).