tert-butyl N-[1-(difluoromethoxymethyl)cyclopropyl]-N-methylcarbamate

C11H19F2NO3 — CID 142576914

IUPACtert-butyl N-[1-(difluoromethoxymethyl)cyclopropyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1(COC(F)F)CC1
InChIInChI=1S/C11H19F2NO3/c1-10(2,3)17-9(15)14(4)11(5-6-11)7-16-8(12)13/h8H,5-7H2,1-4H3
InChIKeyINNSUAGVZVQTKR-UHFFFAOYSA-N
MW251.27 g/mol
LogP2.63
Rot. Bonds4

About tert-butyl N-[1-(difluoromethoxymethyl)cyclopropyl]-N-methylcarbamate

tert-butyl N-[1-(difluoromethoxymethyl)cyclopropyl]-N-methylcarbamate (PubChem CID 142576914) has the molecular formula C11H19F2NO3 and a molecular weight of 251.27 g/mol. Its IUPAC name is tert-butyl N-[1-(difluoromethoxymethyl)cyclopropyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(difluoromethoxymethyl)cyclopropyl]-N-methylcarbamate
PubChem CID142576914
Molecular FormulaC11H19F2NO3
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC Nametert-butyl N-[1-(difluoromethoxymethyl)cyclopropyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1(COC(F)F)CC1
InChIInChI=1S/C11H19F2NO3/c1-10(2,3)17-9(15)14(4)11(5-6-11)7-16-8(12)13/h8H,5-7H2,1-4H3
InChIKeyINNSUAGVZVQTKR-UHFFFAOYSA-N
XLogP2.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methyl benzoate
CID 155255342
tert-butyl N-[3-(aminomethyl)oxolan-3-yl]-N-methylcarbamate
CID 178113575
tert-butyl N-methyl-N-(1-methyl-4-oxocyclohexyl)carbamate
CID 155896883
tert-butyl N-[1-(2-ethoxyacetyl)cyclopropyl]-N-methylcarbamate
CID 165471468
tert-butyl N-(2-fluoropropyl)-N-methylcarbamate
CID 123325523
tert-butyl N-methyl-N-[1-[(4-methylphenyl)sulfonylsulfanylmethyl]cyclopropyl]carbamate
CID 90306719
1-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl-sulfinoamino]cyclopropane
CID 174718205
3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 122508081
tert-butyl N-[(1S,2S)-1-(bromomethyl)-2-methylcyclopropyl]-N-methylcarbamate
CID 69436573
tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate
CID 131045912
ethyl (E)-3-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]prop-2-enoate
CID 22325126
tert-butyl N-methyl-N-(1-prop-2-enoylcyclobutyl)carbamate
CID 165468411

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(difluoromethoxymethyl)cyclopropyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-(difluoromethoxymethyl)cyclopropyl]-N-methylcarbamate (CID 142576914) is tert-butyl N-[1-(difluoromethoxymethyl)cyclopropyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(difluoromethoxymethyl)cyclopropyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-(difluoromethoxymethyl)cyclopropyl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1(COC(F)F)CC1.
What is the InChIKey of tert-butyl N-[1-(difluoromethoxymethyl)cyclopropyl]-N-methylcarbamate?
The InChIKey is INNSUAGVZVQTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO3/c1-10(2,3)17-9(15)14(4)11(5-6-11)7-16-8(12)13/h8H,5-7H2,1-4H3.
What are the key properties of tert-butyl N-[1-(difluoromethoxymethyl)cyclopropyl]-N-methylcarbamate?
tert-butyl N-[1-(difluoromethoxymethyl)cyclopropyl]-N-methylcarbamate has a molecular weight of 251.27 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(difluoromethoxymethyl)cyclopropyl]-N-methylcarbamate is sourced from PubChem (CID 142576914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).