4-(2-fluoroethyl)-1-methylpyrrolidin-2-one

C7H12FNO — CID 67261550

IUPAC4-(2-fluoroethyl)-1-methylpyrrolidin-2-one
SMILESCN1CC(CCF)CC1=O
InChIInChI=1S/C7H12FNO/c1-9-5-6(2-3-8)4-7(9)10/h6H,2-5H2,1H3
InChIKeyCJLBHGVZSGECOK-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.82
Rot. Bonds2

About 4-(2-fluoroethyl)-1-methylpyrrolidin-2-one

4-(2-fluoroethyl)-1-methylpyrrolidin-2-one (PubChem CID 67261550) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-fluoroethyl)-1-methylpyrrolidin-2-one
PubChem CID67261550
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name4-(2-fluoroethyl)-1-methylpyrrolidin-2-one
SMILESCN1CC(CCF)CC1=O
InChIInChI=1S/C7H12FNO/c1-9-5-6(2-3-8)4-7(9)10/h6H,2-5H2,1H3
InChIKeyCJLBHGVZSGECOK-UHFFFAOYSA-N
XLogP0.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 4-(2-fluoroethyl)-1-methylpyrrolidin-2-one (CID 67261550) is 4-(2-fluoroethyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(2-fluoroethyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-(2-fluoroethyl)-1-methylpyrrolidin-2-one is CN1CC(CCF)CC1=O.
What is the InChIKey of 4-(2-fluoroethyl)-1-methylpyrrolidin-2-one?
The InChIKey is CJLBHGVZSGECOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-9-5-6(2-3-8)4-7(9)10/h6H,2-5H2,1H3.
What are the key properties of 4-(2-fluoroethyl)-1-methylpyrrolidin-2-one?
4-(2-fluoroethyl)-1-methylpyrrolidin-2-one has a molecular weight of 145.18 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 67261550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).