tert-butyl N-[3-(fluorooxymethyl)pyrrolidin-3-yl]carbamate

C10H19FN2O3 — CID 170207829

IUPACtert-butyl N-[3-(fluorooxymethyl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(COF)CCNC1
InChIInChI=1S/C10H19FN2O3/c1-9(2,3)16-8(14)13-10(7-15-11)4-5-12-6-10/h12H,4-7H2,1-3H3,(H,13,14)
InChIKeySKXQVBTWPUBROD-UHFFFAOYSA-N
MW234.27 g/mol
LogP1.14
Rot. Bonds3

About tert-butyl N-[3-(fluorooxymethyl)pyrrolidin-3-yl]carbamate

tert-butyl N-[3-(fluorooxymethyl)pyrrolidin-3-yl]carbamate (PubChem CID 170207829) has the molecular formula C10H19FN2O3 and a molecular weight of 234.27 g/mol. Its IUPAC name is tert-butyl N-[3-(fluorooxymethyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(fluorooxymethyl)pyrrolidin-3-yl]carbamate
PubChem CID170207829
Molecular FormulaC10H19FN2O3
Molecular Weight234.27 g/mol
Exact Mass234.14
IUPAC Nametert-butyl N-[3-(fluorooxymethyl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(COF)CCNC1
InChIInChI=1S/C10H19FN2O3/c1-9(2,3)16-8(14)13-10(7-15-11)4-5-12-6-10/h12H,4-7H2,1-3H3,(H,13,14)
InChIKeySKXQVBTWPUBROD-UHFFFAOYSA-N
XLogP1.14
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[1-(methylaminomethyl)cyclopropyl]carbamate
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tert-butyl N-[(3R)-3-ethylpyrrolidin-3-yl]carbamate;1-ethylpyrrolidin-3-amine
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tert-butyl N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate
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tert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(fluorooxymethyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(fluorooxymethyl)pyrrolidin-3-yl]carbamate (CID 170207829) is tert-butyl N-[3-(fluorooxymethyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(fluorooxymethyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(fluorooxymethyl)pyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1(COF)CCNC1.
What is the InChIKey of tert-butyl N-[3-(fluorooxymethyl)pyrrolidin-3-yl]carbamate?
The InChIKey is SKXQVBTWPUBROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O3/c1-9(2,3)16-8(14)13-10(7-15-11)4-5-12-6-10/h12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-[3-(fluorooxymethyl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[3-(fluorooxymethyl)pyrrolidin-3-yl]carbamate has a molecular weight of 234.27 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(fluorooxymethyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 170207829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).