tert-butyl N-(2-fluoroethyl)-N-[(3R)-pyrrolidin-3-yl]carbamate

C11H21FN2O2 — CID 87304052

IUPACtert-butyl N-(2-fluoroethyl)-N-[(3R)-pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N(CCF)[C@@H]1CCNC1
InChIInChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)14(7-5-12)9-4-6-13-8-9/h9,13H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyCAOBHHRWVCZUDW-SECBINFHSA-N
MW232.30 g/mol
LogP1.55
Rot. Bonds3

About tert-butyl N-(2-fluoroethyl)-N-[(3R)-pyrrolidin-3-yl]carbamate

tert-butyl N-(2-fluoroethyl)-N-[(3R)-pyrrolidin-3-yl]carbamate (PubChem CID 87304052) has the molecular formula C11H21FN2O2 and a molecular weight of 232.30 g/mol. Its IUPAC name is tert-butyl N-(2-fluoroethyl)-N-[(3R)-pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-fluoroethyl)-N-[(3R)-pyrrolidin-3-yl]carbamate
PubChem CID87304052
Molecular FormulaC11H21FN2O2
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Nametert-butyl N-(2-fluoroethyl)-N-[(3R)-pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N(CCF)[C@@H]1CCNC1
InChIInChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)14(7-5-12)9-4-6-13-8-9/h9,13H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyCAOBHHRWVCZUDW-SECBINFHSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(3-fluoropropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 58365097
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate
CID 90457113
tert-butyl N-(azepan-3-yl)-N-(2,2,2-trifluoroethyl)carbamate
CID 141103196
tert-butyl N-(2,2-difluoroethyl)-N-piperidin-3-ylcarbamate
CID 84711204
tert-butyl N-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]carbamate
CID 167504034
tert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 66569336
[(2R)-1-[2-[(2-methylpropan-2-yl)oxycarbonyl-[(3S)-pyrrolidin-3-yl]amino]acetyl]pyrrolidin-2-yl]boronic acid
CID 69464162
tert-butyl N-[3-(4-fluorophenyl)propyl]-N-piperidin-4-ylcarbamate
CID 156539010
tert-butyl N-(1-methylcyclopropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 167504165
tert-butyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate
CID 22120289
tert-butyl N-(oxetan-3-yl)-N-pyrrolidin-3-ylcarbamate
CID 67191248
tert-butyl N-(1-bicyclo[1.1.1]pentanyl)-N-pyrrolidin-3-ylcarbamate
CID 168977654

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-fluoroethyl)-N-[(3R)-pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-(2-fluoroethyl)-N-[(3R)-pyrrolidin-3-yl]carbamate (CID 87304052) is tert-butyl N-(2-fluoroethyl)-N-[(3R)-pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-(2-fluoroethyl)-N-[(3R)-pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-(2-fluoroethyl)-N-[(3R)-pyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N(CCF)[C@@H]1CCNC1.
What is the InChIKey of tert-butyl N-(2-fluoroethyl)-N-[(3R)-pyrrolidin-3-yl]carbamate?
The InChIKey is CAOBHHRWVCZUDW-SECBINFHSA-N. The full InChI is InChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)14(7-5-12)9-4-6-13-8-9/h9,13H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of tert-butyl N-(2-fluoroethyl)-N-[(3R)-pyrrolidin-3-yl]carbamate?
tert-butyl N-(2-fluoroethyl)-N-[(3R)-pyrrolidin-3-yl]carbamate has a molecular weight of 232.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-fluoroethyl)-N-[(3R)-pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 87304052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).