3-[2-(fluoromethyl)pyrrolidin-1-yl]oxolan-2-one

C9H14FNO2 — CID 126997500

IUPAC3-[2-(fluoromethyl)pyrrolidin-1-yl]oxolan-2-one
SMILESO=C1OCCC1N1CCCC1CF
InChIInChI=1S/C9H14FNO2/c10-6-7-2-1-4-11(7)8-3-5-13-9(8)12/h7-8H,1-6H2
InChIKeyIGQDDGYZSFZDIP-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.74
Rot. Bonds2

About 3-[2-(fluoromethyl)pyrrolidin-1-yl]oxolan-2-one

3-[2-(fluoromethyl)pyrrolidin-1-yl]oxolan-2-one (PubChem CID 126997500) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is 3-[2-(fluoromethyl)pyrrolidin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name3-[2-(fluoromethyl)pyrrolidin-1-yl]oxolan-2-one
PubChem CID126997500
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Name3-[2-(fluoromethyl)pyrrolidin-1-yl]oxolan-2-one
SMILESO=C1OCCC1N1CCCC1CF
InChIInChI=1S/C9H14FNO2/c10-6-7-2-1-4-11(7)8-3-5-13-9(8)12/h7-8H,1-6H2
InChIKeyIGQDDGYZSFZDIP-UHFFFAOYSA-N
XLogP0.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-Pyrrolidinyl)tetrahydro-2-furanone
CID 17869808
3-(3-Fluoro-3-methylpyrrolidin-1-yl)oxolan-2-one
CID 126991920
3-(3,3-Difluoropyrrolidin-1-yl)oxolan-2-one
CID 126997838
3-[(3-Fluorocyclopentyl)amino]oxolan-2-one
CID 130649635
2(3H)-Furanone, dihydro-4-(1-pyrrolidinyl)-
CID 10888135
3-Piperidin-1-yloxolan-2-one
CID 22893188
3-Pyrrolidin-1-yloxolane-2,5-dione
CID 88826937
(3R)-3-pyrrolidin-1-yloxolan-2-one
CID 140994896
(3R)-3-piperidin-1-yloxolan-2-one
CID 151394399
4-Methyl-3-(pyrrolidin-1-yl)dihydrofuran-2(3H)-one
CID 45082715
3-[2-(Hydroxymethyl)pyrrolidin-1-yl]oxolan-2-one
CID 62014143
Methyl 1-(2-oxooxolan-3-yl)pyrrolidine-2-carboxylate
CID 62028796

Frequently Asked Questions

What is the IUPAC name of 3-[2-(fluoromethyl)pyrrolidin-1-yl]oxolan-2-one?
The IUPAC name of 3-[2-(fluoromethyl)pyrrolidin-1-yl]oxolan-2-one (CID 126997500) is 3-[2-(fluoromethyl)pyrrolidin-1-yl]oxolan-2-one.
What is the SMILES notation for 3-[2-(fluoromethyl)pyrrolidin-1-yl]oxolan-2-one?
The canonical SMILES for 3-[2-(fluoromethyl)pyrrolidin-1-yl]oxolan-2-one is O=C1OCCC1N1CCCC1CF.
What is the InChIKey of 3-[2-(fluoromethyl)pyrrolidin-1-yl]oxolan-2-one?
The InChIKey is IGQDDGYZSFZDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO2/c10-6-7-2-1-4-11(7)8-3-5-13-9(8)12/h7-8H,1-6H2.
What are the key properties of 3-[2-(fluoromethyl)pyrrolidin-1-yl]oxolan-2-one?
3-[2-(fluoromethyl)pyrrolidin-1-yl]oxolan-2-one has a molecular weight of 187.21 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(fluoromethyl)pyrrolidin-1-yl]oxolan-2-one is sourced from PubChem (CID 126997500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).