1-ethyl-4-(2-fluoroethyl)pyrrolidin-2-one

C8H14FNO — CID 67254180

IUPAC1-ethyl-4-(2-fluoroethyl)pyrrolidin-2-one
SMILESCCN1CC(CCF)CC1=O
InChIInChI=1S/C8H14FNO/c1-2-10-6-7(3-4-9)5-8(10)11/h7H,2-6H2,1H3
InChIKeyNZSMHKROHQVMBJ-UHFFFAOYSA-N
MW159.20 g/mol
LogP1.21
Rot. Bonds3

About 1-ethyl-4-(2-fluoroethyl)pyrrolidin-2-one

1-ethyl-4-(2-fluoroethyl)pyrrolidin-2-one (PubChem CID 67254180) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 1-ethyl-4-(2-fluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-(2-fluoroethyl)pyrrolidin-2-one
PubChem CID67254180
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name1-ethyl-4-(2-fluoroethyl)pyrrolidin-2-one
SMILESCCN1CC(CCF)CC1=O
InChIInChI=1S/C8H14FNO/c1-2-10-6-7(3-4-9)5-8(10)11/h7H,2-6H2,1H3
InChIKeyNZSMHKROHQVMBJ-UHFFFAOYSA-N
XLogP1.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-fluoroethyl)pyrrolidin-2-one?
The IUPAC name of 1-ethyl-4-(2-fluoroethyl)pyrrolidin-2-one (CID 67254180) is 1-ethyl-4-(2-fluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-4-(2-fluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 1-ethyl-4-(2-fluoroethyl)pyrrolidin-2-one is CCN1CC(CCF)CC1=O.
What is the InChIKey of 1-ethyl-4-(2-fluoroethyl)pyrrolidin-2-one?
The InChIKey is NZSMHKROHQVMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-2-10-6-7(3-4-9)5-8(10)11/h7H,2-6H2,1H3.
What are the key properties of 1-ethyl-4-(2-fluoroethyl)pyrrolidin-2-one?
1-ethyl-4-(2-fluoroethyl)pyrrolidin-2-one has a molecular weight of 159.20 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-fluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 67254180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).