(3R)-3-ethyl-3-fluoropyrrolidin-2-one

C6H10FNO — CID 175917749

IUPAC(3R)-3-ethyl-3-fluoropyrrolidin-2-one
SMILESCC[C@@]1(F)CCNC1=O
InChIInChI=1S/C6H10FNO/c1-2-6(7)3-4-8-5(6)9/h2-4H2,1H3,(H,8,9)/t6-/m1/s1
InChIKeyWWHDVJDSCAVDDT-ZCFIWIBFSA-N
MW131.15 g/mol
LogP0.62
Rot. Bonds1

About (3R)-3-ethyl-3-fluoropyrrolidin-2-one

(3R)-3-ethyl-3-fluoropyrrolidin-2-one (PubChem CID 175917749) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is (3R)-3-ethyl-3-fluoropyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-ethyl-3-fluoropyrrolidin-2-one
PubChem CID175917749
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name(3R)-3-ethyl-3-fluoropyrrolidin-2-one
SMILESCC[C@@]1(F)CCNC1=O
InChIInChI=1S/C6H10FNO/c1-2-6(7)3-4-8-5(6)9/h2-4H2,1H3,(H,8,9)/t6-/m1/s1
InChIKeyWWHDVJDSCAVDDT-ZCFIWIBFSA-N
XLogP0.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-3-fluoropyrrolidin-2-one?
The IUPAC name of (3R)-3-ethyl-3-fluoropyrrolidin-2-one (CID 175917749) is (3R)-3-ethyl-3-fluoropyrrolidin-2-one.
What is the SMILES notation for (3R)-3-ethyl-3-fluoropyrrolidin-2-one?
The canonical SMILES for (3R)-3-ethyl-3-fluoropyrrolidin-2-one is CC[C@@]1(F)CCNC1=O.
What is the InChIKey of (3R)-3-ethyl-3-fluoropyrrolidin-2-one?
The InChIKey is WWHDVJDSCAVDDT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H10FNO/c1-2-6(7)3-4-8-5(6)9/h2-4H2,1H3,(H,8,9)/t6-/m1/s1.
What are the key properties of (3R)-3-ethyl-3-fluoropyrrolidin-2-one?
(3R)-3-ethyl-3-fluoropyrrolidin-2-one has a molecular weight of 131.15 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-3-fluoropyrrolidin-2-one is sourced from PubChem (CID 175917749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).