[(3S)-pyrrolidin-3-yl] N-(2-fluoroethyl)carbamate

C7H13FN2O2 — CID 174695074

IUPAC[(3S)-pyrrolidin-3-yl] N-(2-fluoroethyl)carbamate
SMILESO=C(NCCF)O[C@H]1CCNC1
InChIInChI=1S/C7H13FN2O2/c8-2-4-10-7(11)12-6-1-3-9-5-6/h6,9H,1-5H2,(H,10,11)/t6-/m0/s1
InChIKeyUWTJUBGJXYGENO-LURJTMIESA-N
MW176.19 g/mol
LogP0.04
Rot. Bonds3

About [(3S)-pyrrolidin-3-yl] N-(2-fluoroethyl)carbamate

[(3S)-pyrrolidin-3-yl] N-(2-fluoroethyl)carbamate (PubChem CID 174695074) has the molecular formula C7H13FN2O2 and a molecular weight of 176.19 g/mol. Its IUPAC name is [(3S)-pyrrolidin-3-yl] N-(2-fluoroethyl)carbamate.

Molecular Properties

Compound Name[(3S)-pyrrolidin-3-yl] N-(2-fluoroethyl)carbamate
PubChem CID174695074
Molecular FormulaC7H13FN2O2
Molecular Weight176.19 g/mol
Exact Mass176.10
IUPAC Name[(3S)-pyrrolidin-3-yl] N-(2-fluoroethyl)carbamate
SMILESO=C(NCCF)O[C@H]1CCNC1
InChIInChI=1S/C7H13FN2O2/c8-2-4-10-7(11)12-6-1-3-9-5-6/h6,9H,1-5H2,(H,10,11)/t6-/m0/s1
InChIKeyUWTJUBGJXYGENO-LURJTMIESA-N
XLogP0.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

pyrrolidin-3-yl N-[2-[(2R)-pyrrolidin-2-yl]ethyl]carbamate
CID 176952268
[(3S)-piperidin-3-yl] N-butylcarbamate
CID 79346387
piperidin-3-yl N-butylcarbamate
CID 68747208
N-(2-fluoroethyl)pyrrolidine-3-carboxamide
CID 76624204
N-(2-fluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 87325134
piperidin-4-yl N-[2-(propan-2-ylamino)ethyl]carbamate
CID 130348715
pyrrolidin-3-yl N,N-dimethylcarbamate
CID 54025595
pyrrolidin-3-yl propanoate
CID 53409832
[(3R)-pyrrolidin-3-yl] carbamate;hydrochloride
CID 67938211
azetidin-3-yl N-ethylcarbamate
CID 79338252
[(3S)-pyrrolidin-3-yl] (3S)-pyrrolidine-3-carboxylate
CID 140571611
pyrrolidin-3-yl N-butyl-N-(2-fluoroethyl)carbamate
CID 174759358

Frequently Asked Questions

What is the IUPAC name of [(3S)-pyrrolidin-3-yl] N-(2-fluoroethyl)carbamate?
The IUPAC name of [(3S)-pyrrolidin-3-yl] N-(2-fluoroethyl)carbamate (CID 174695074) is [(3S)-pyrrolidin-3-yl] N-(2-fluoroethyl)carbamate.
What is the SMILES notation for [(3S)-pyrrolidin-3-yl] N-(2-fluoroethyl)carbamate?
The canonical SMILES for [(3S)-pyrrolidin-3-yl] N-(2-fluoroethyl)carbamate is O=C(NCCF)O[C@H]1CCNC1.
What is the InChIKey of [(3S)-pyrrolidin-3-yl] N-(2-fluoroethyl)carbamate?
The InChIKey is UWTJUBGJXYGENO-LURJTMIESA-N. The full InChI is InChI=1S/C7H13FN2O2/c8-2-4-10-7(11)12-6-1-3-9-5-6/h6,9H,1-5H2,(H,10,11)/t6-/m0/s1.
What are the key properties of [(3S)-pyrrolidin-3-yl] N-(2-fluoroethyl)carbamate?
[(3S)-pyrrolidin-3-yl] N-(2-fluoroethyl)carbamate has a molecular weight of 176.19 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-pyrrolidin-3-yl] N-(2-fluoroethyl)carbamate is sourced from PubChem (CID 174695074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).