tert-butyl N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-methylcarbamate

C12H22F2N2O2 — CID 146498260

IUPACtert-butyl N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-methylcarbamate
SMILESCN(CCN1CCC(F)(F)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H22F2N2O2/c1-11(2,3)18-10(17)15(4)7-8-16-6-5-12(13,14)9-16/h5-9H2,1-4H3
InChIKeyCCROWQCPEXMOKD-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.19
Rot. Bonds3

About tert-butyl N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-methylcarbamate

tert-butyl N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-methylcarbamate (PubChem CID 146498260) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-methylcarbamate
PubChem CID146498260
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Nametert-butyl N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-methylcarbamate
SMILESCN(CCN1CCC(F)(F)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H22F2N2O2/c1-11(2,3)18-10(17)15(4)7-8-16-6-5-12(13,14)9-16/h5-9H2,1-4H3
InChIKeyCCROWQCPEXMOKD-UHFFFAOYSA-N
XLogP2.19
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
3-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethylpropan-1-amine
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tert-butyl N-methyl-N-[2-[methyl(thiomorpholine-4-carbonyl)amino]ethyl]carbamate
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piperidin-1-ylmethyl N-methyl-N-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
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tert-butyl N-[2-[4-(4-aminophenyl)piperidin-1-yl]ethyl]-N-methylcarbamate
CID 59843161
tert-butyl N-methyl-N-[4-[methyl(morpholine-4-carbonyl)amino]butyl]carbamate
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2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
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tert-butyl N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-methylcarbamate (CID 146498260) is tert-butyl N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-methylcarbamate is CN(CCN1CCC(F)(F)C1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-methylcarbamate?
The InChIKey is CCROWQCPEXMOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-11(2,3)18-10(17)15(4)7-8-16-6-5-12(13,14)9-16/h5-9H2,1-4H3.
What are the key properties of tert-butyl N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-methylcarbamate?
tert-butyl N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-methylcarbamate has a molecular weight of 264.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-methylcarbamate is sourced from PubChem (CID 146498260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).