[(3S,4R)-4-fluoropyrrolidin-3-yl] acetate

C6H10FNO2 — CID 162428943

IUPAC[(3S,4R)-4-fluoropyrrolidin-3-yl] acetate
SMILESCC(=O)O[C@H]1CNC[C@H]1F
InChIInChI=1S/C6H10FNO2/c1-4(9)10-6-3-8-2-5(6)7/h5-6,8H,2-3H2,1H3/t5-,6+/m1/s1
InChIKeyATMQBKJSDAAHDC-RITPCOANSA-N
MW147.15 g/mol
LogP-0.14
Rot. Bonds1

About [(3S,4R)-4-fluoropyrrolidin-3-yl] acetate

[(3S,4R)-4-fluoropyrrolidin-3-yl] acetate (PubChem CID 162428943) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is [(3S,4R)-4-fluoropyrrolidin-3-yl] acetate.

Molecular Properties

Compound Name[(3S,4R)-4-fluoropyrrolidin-3-yl] acetate
PubChem CID162428943
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name[(3S,4R)-4-fluoropyrrolidin-3-yl] acetate
SMILESCC(=O)O[C@H]1CNC[C@H]1F
InChIInChI=1S/C6H10FNO2/c1-4(9)10-6-3-8-2-5(6)7/h5-6,8H,2-3H2,1H3/t5-,6+/m1/s1
InChIKeyATMQBKJSDAAHDC-RITPCOANSA-N
XLogP-0.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,4S)-4-acetyloxypyrrolidin-3-yl] acetate;2,2,2-trifluoroacetic acid
CID 71680568
[(3R,4R)-4-acetyloxypyrrolidin-3-yl] acetate;2,2,2-trifluoroacetic acid
CID 145948350
3-(2-Fluoroethoxy)pyrrolidine
CID 53409223
methyl 2-[(3R)-pyrrolidin-3-yloxy]acetate hydrochloride
CID 74889924
3-(2,2-Difluoroethoxy)pyrrolidine; trifluoroacetic acid
CID 165653669
CID 20745984
CID 20745984
cis-3-Fluoro-4-methoxy-pyrrolidine
CID 22603647
(3R,4R)-3-fluoro-4-methoxypyrrolidine
CID 58395776
3-Fluoro-4-propan-2-yloxypyrrolidine
CID 59176328
(3S)-3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid
CID 68603170
3-Propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid
CID 68603175
(3R)-3-methoxypyrrolidine;2,2,2-trifluoroacetic acid
CID 68890415

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-fluoropyrrolidin-3-yl] acetate?
The IUPAC name of [(3S,4R)-4-fluoropyrrolidin-3-yl] acetate (CID 162428943) is [(3S,4R)-4-fluoropyrrolidin-3-yl] acetate.
What is the SMILES notation for [(3S,4R)-4-fluoropyrrolidin-3-yl] acetate?
The canonical SMILES for [(3S,4R)-4-fluoropyrrolidin-3-yl] acetate is CC(=O)O[C@H]1CNC[C@H]1F.
What is the InChIKey of [(3S,4R)-4-fluoropyrrolidin-3-yl] acetate?
The InChIKey is ATMQBKJSDAAHDC-RITPCOANSA-N. The full InChI is InChI=1S/C6H10FNO2/c1-4(9)10-6-3-8-2-5(6)7/h5-6,8H,2-3H2,1H3/t5-,6+/m1/s1.
What are the key properties of [(3S,4R)-4-fluoropyrrolidin-3-yl] acetate?
[(3S,4R)-4-fluoropyrrolidin-3-yl] acetate has a molecular weight of 147.15 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-fluoropyrrolidin-3-yl] acetate is sourced from PubChem (CID 162428943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).