4-(2-fluoroethyl)-5-(2-hydroxyethyl)pyrrolidin-2-one

C8H14FNO2 — CID 175720401

IUPAC4-(2-fluoroethyl)-5-(2-hydroxyethyl)pyrrolidin-2-one
SMILESO=C1CC(CCF)C(CCO)N1
InChIInChI=1S/C8H14FNO2/c9-3-1-6-5-8(12)10-7(6)2-4-11/h6-7,11H,1-5H2,(H,10,12)
InChIKeyDUHKZHMFRNVPSV-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.23
Rot. Bonds4

About 4-(2-fluoroethyl)-5-(2-hydroxyethyl)pyrrolidin-2-one

4-(2-fluoroethyl)-5-(2-hydroxyethyl)pyrrolidin-2-one (PubChem CID 175720401) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-5-(2-hydroxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-fluoroethyl)-5-(2-hydroxyethyl)pyrrolidin-2-one
PubChem CID175720401
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name4-(2-fluoroethyl)-5-(2-hydroxyethyl)pyrrolidin-2-one
SMILESO=C1CC(CCF)C(CCO)N1
InChIInChI=1S/C8H14FNO2/c9-3-1-6-5-8(12)10-7(6)2-4-11/h6-7,11H,1-5H2,(H,10,12)
InChIKeyDUHKZHMFRNVPSV-UHFFFAOYSA-N
XLogP0.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-5-(2-hydroxyethyl)pyrrolidin-2-one?
The IUPAC name of 4-(2-fluoroethyl)-5-(2-hydroxyethyl)pyrrolidin-2-one (CID 175720401) is 4-(2-fluoroethyl)-5-(2-hydroxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2-fluoroethyl)-5-(2-hydroxyethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(2-fluoroethyl)-5-(2-hydroxyethyl)pyrrolidin-2-one is O=C1CC(CCF)C(CCO)N1.
What is the InChIKey of 4-(2-fluoroethyl)-5-(2-hydroxyethyl)pyrrolidin-2-one?
The InChIKey is DUHKZHMFRNVPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c9-3-1-6-5-8(12)10-7(6)2-4-11/h6-7,11H,1-5H2,(H,10,12).
What are the key properties of 4-(2-fluoroethyl)-5-(2-hydroxyethyl)pyrrolidin-2-one?
4-(2-fluoroethyl)-5-(2-hydroxyethyl)pyrrolidin-2-one has a molecular weight of 175.20 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-5-(2-hydroxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 175720401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).