tert-butyl N-(3-cyclopropyl-2,2-difluoro-3-oxopropyl)carbamate

C11H17F2NO3 — CID 165471431

IUPACtert-butyl N-(3-cyclopropyl-2,2-difluoro-3-oxopropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(F)(F)C(=O)C1CC1
InChIInChI=1S/C11H17F2NO3/c1-10(2,3)17-9(16)14-6-11(12,13)8(15)7-4-5-7/h7H,4-6H2,1-3H3,(H,14,16)
InChIKeyGSNATEJJSYZMEY-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.13
Rot. Bonds4

About tert-butyl N-(3-cyclopropyl-2,2-difluoro-3-oxopropyl)carbamate

tert-butyl N-(3-cyclopropyl-2,2-difluoro-3-oxopropyl)carbamate (PubChem CID 165471431) has the molecular formula C11H17F2NO3 and a molecular weight of 249.26 g/mol. Its IUPAC name is tert-butyl N-(3-cyclopropyl-2,2-difluoro-3-oxopropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-cyclopropyl-2,2-difluoro-3-oxopropyl)carbamate
PubChem CID165471431
Molecular FormulaC11H17F2NO3
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Nametert-butyl N-(3-cyclopropyl-2,2-difluoro-3-oxopropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(F)(F)C(=O)C1CC1
InChIInChI=1S/C11H17F2NO3/c1-10(2,3)17-9(16)14-6-11(12,13)8(15)7-4-5-7/h7H,4-6H2,1-3H3,(H,14,16)
InChIKeyGSNATEJJSYZMEY-UHFFFAOYSA-N
XLogP2.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2,2-difluoro-3-oxobutyl)carbamate
CID 129292881
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CID 142350592
tert-butyl N-[3-(dicyclopropylmethylamino)-2,2-difluoropropyl]carbamate
CID 104955558
tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate
CID 107257366
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[(2R)-2-amino-3,3,3-trifluoro-2-methylpropyl]carbamate
CID 178201471
tert-butyl N-[3-bromo-2-(cyclopentylmethoxy)-2-methylpropyl]carbamate
CID 114774602
tert-butyl N-[3-bromo-2-(4-methoxycyclohexyl)oxy-2-methylpropyl]carbamate
CID 165493541
tert-butyl N-[3-bromo-2-methyl-2-(4,4,4-trifluorobutoxy)propyl]carbamate
CID 114774784
tert-butyl N-[3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]carbamate
CID 71991481
tert-butyl N-(bromomethyl)carbamate
CID 20614913
3,3-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-cyclopropyl-2,2-difluoro-3-oxopropyl)carbamate?
The IUPAC name of tert-butyl N-(3-cyclopropyl-2,2-difluoro-3-oxopropyl)carbamate (CID 165471431) is tert-butyl N-(3-cyclopropyl-2,2-difluoro-3-oxopropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-cyclopropyl-2,2-difluoro-3-oxopropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-cyclopropyl-2,2-difluoro-3-oxopropyl)carbamate is CC(C)(C)OC(=O)NCC(F)(F)C(=O)C1CC1.
What is the InChIKey of tert-butyl N-(3-cyclopropyl-2,2-difluoro-3-oxopropyl)carbamate?
The InChIKey is GSNATEJJSYZMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO3/c1-10(2,3)17-9(16)14-6-11(12,13)8(15)7-4-5-7/h7H,4-6H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-(3-cyclopropyl-2,2-difluoro-3-oxopropyl)carbamate?
tert-butyl N-(3-cyclopropyl-2,2-difluoro-3-oxopropyl)carbamate has a molecular weight of 249.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-cyclopropyl-2,2-difluoro-3-oxopropyl)carbamate is sourced from PubChem (CID 165471431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).