tert-butyl N-[[2,2-difluoro-1-(iodomethyl)cyclopropyl]methyl]carbamate

C10H16F2INO2 — CID 170915051

IUPACtert-butyl N-[[2,2-difluoro-1-(iodomethyl)cyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(CI)CC1(F)F
InChIInChI=1S/C10H16F2INO2/c1-8(2,3)16-7(15)14-6-9(5-13)4-10(9,11)12/h4-6H2,1-3H3,(H,14,15)
InChIKeyMCGKMKHYECHPFV-UHFFFAOYSA-N
MW347.14 g/mol
LogP2.97
Rot. Bonds3

About tert-butyl N-[[2,2-difluoro-1-(iodomethyl)cyclopropyl]methyl]carbamate

tert-butyl N-[[2,2-difluoro-1-(iodomethyl)cyclopropyl]methyl]carbamate (PubChem CID 170915051) has the molecular formula C10H16F2INO2 and a molecular weight of 347.14 g/mol. Its IUPAC name is tert-butyl N-[[2,2-difluoro-1-(iodomethyl)cyclopropyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2,2-difluoro-1-(iodomethyl)cyclopropyl]methyl]carbamate
PubChem CID170915051
Molecular FormulaC10H16F2INO2
Molecular Weight347.14 g/mol
Exact Mass347.02
IUPAC Nametert-butyl N-[[2,2-difluoro-1-(iodomethyl)cyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(CI)CC1(F)F
InChIInChI=1S/C10H16F2INO2/c1-8(2,3)16-7(15)14-6-9(5-13)4-10(9,11)12/h4-6H2,1-3H3,(H,14,15)
InChIKeyMCGKMKHYECHPFV-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.14
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl N-[[2,2-difluoro-1-(iodomethyl)cyclopropyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride
CID 118998436
tert-butyl N-[(5-fluoro-3-azabicyclo[3.1.1]heptan-1-yl)methyl]carbamate
CID 155895291
tert-butyl N-[1-(aminomethyl)-2,2-difluorocyclopropyl]carbamate
CID 167726383
tert-butyl N-[[3-oxo-1-(trifluoromethyl)cyclobutyl]methyl]carbamate
CID 91647554
tert-butyl N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]carbamate
CID 140958930
tert-butyl N-(bromomethyl)carbamate
CID 20614913
tert-butyl N-[(3-amino-1-fluorocyclohexyl)methyl]carbamate
CID 130067864
tert-butyl N-[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]carbamate
CID 15421754
tert-butyl N-[[(1R,2S)-2-(hydroxymethyl)-1-methylcyclopropyl]methyl]carbamate
CID 121388239
tert-butyl N-[[1-hydroxy-3-(hydroxymethyl)cyclobutyl]methyl]carbamate
CID 167737736
tert-butyl N-[3-(iodomethoxycarbonylamino)propyl]carbamate
CID 18629483
tert-butyl N-[(2R)-2-amino-3,3,3-trifluoro-2-methylpropyl]carbamate
CID 178201471

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2,2-difluoro-1-(iodomethyl)cyclopropyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2,2-difluoro-1-(iodomethyl)cyclopropyl]methyl]carbamate (CID 170915051) is tert-butyl N-[[2,2-difluoro-1-(iodomethyl)cyclopropyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2,2-difluoro-1-(iodomethyl)cyclopropyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2,2-difluoro-1-(iodomethyl)cyclopropyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1(CI)CC1(F)F.
What is the InChIKey of tert-butyl N-[[2,2-difluoro-1-(iodomethyl)cyclopropyl]methyl]carbamate?
The InChIKey is MCGKMKHYECHPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2INO2/c1-8(2,3)16-7(15)14-6-9(5-13)4-10(9,11)12/h4-6H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-[[2,2-difluoro-1-(iodomethyl)cyclopropyl]methyl]carbamate?
tert-butyl N-[[2,2-difluoro-1-(iodomethyl)cyclopropyl]methyl]carbamate has a molecular weight of 347.14 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2,2-difluoro-1-(iodomethyl)cyclopropyl]methyl]carbamate is sourced from PubChem (CID 170915051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).