tert-butyl N-[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]carbamate

C9H15F2NO3 — CID 15421754

IUPACtert-butyl N-[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@]1(CO)CC1(F)F
InChIInChI=1S/C9H15F2NO3/c1-7(2,3)15-6(14)12-8(5-13)4-9(8,10)11/h13H,4-5H2,1-3H3,(H,12,14)/t8-/m1/s1
InChIKeyANKDCFUBRRXQSC-MRVPVSSYSA-N
MW223.22 g/mol
LogP1.28
Rot. Bonds2

About tert-butyl N-[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]carbamate

tert-butyl N-[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]carbamate (PubChem CID 15421754) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is tert-butyl N-[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]carbamate
PubChem CID15421754
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC Nametert-butyl N-[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@]1(CO)CC1(F)F
InChIInChI=1S/C9H15F2NO3/c1-7(2,3)15-6(14)12-8(5-13)4-9(8,10)11/h13H,4-5H2,1-3H3,(H,12,14)/t8-/m1/s1
InChIKeyANKDCFUBRRXQSC-MRVPVSSYSA-N
XLogP1.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(aminomethyl)-2,2-difluorocyclopropyl]carbamate
CID 167726383
2,2,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
CID 167732083
tert-butyl N-(1-cyano-2,2-difluorocyclopropyl)carbamate
CID 45158925
tert-butyl N-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 138106118
tert-butyl N-(2,2-difluoro-3-methyl-1-bicyclo[1.1.1]pentanyl)carbamate
CID 167720360
tert-butyl N-[3,3-difluoro-1-(methylaminomethyl)cyclobutyl]carbamate
CID 151052827
tert-butyl N-(1-methylcyclopropyl)carbamate;ethane
CID 144869445
sodium 3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
CID 118957644
tert-butyl N-(3,3-difluoro-1-phenylcyclobutyl)carbamate
CID 171921911
tert-butyl N-[[2,2-difluoro-1-(iodomethyl)cyclopropyl]methyl]carbamate
CID 170915051
tert-butyl N-[1-carbamoyl-2-(hydroxymethyl)cyclopropyl]carbamate
CID 130004007
2-(2-hydroxyethyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 67030541

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]carbamate (CID 15421754) is tert-butyl N-[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]carbamate is CC(C)(C)OC(=O)N[C@@]1(CO)CC1(F)F.
What is the InChIKey of tert-butyl N-[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]carbamate?
The InChIKey is ANKDCFUBRRXQSC-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15F2NO3/c1-7(2,3)15-6(14)12-8(5-13)4-9(8,10)11/h13H,4-5H2,1-3H3,(H,12,14)/t8-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]carbamate?
tert-butyl N-[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]carbamate has a molecular weight of 223.22 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]carbamate is sourced from PubChem (CID 15421754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).