4-(fluoromethyl)-1,2-dihydropyrrol-3-one

C5H6FNO — CID 173378909

IUPAC4-(fluoromethyl)-1,2-dihydropyrrol-3-one
SMILESO=C1CNC=C1CF
InChIInChI=1S/C5H6FNO/c6-1-4-2-7-3-5(4)8/h2,7H,1,3H2
InChIKeyZTMJPGOQGQYGAI-UHFFFAOYSA-N
MW115.11 g/mol
LogP0.01
Rot. Bonds1

About 4-(fluoromethyl)-1,2-dihydropyrrol-3-one

4-(fluoromethyl)-1,2-dihydropyrrol-3-one (PubChem CID 173378909) has the molecular formula C5H6FNO and a molecular weight of 115.11 g/mol. Its IUPAC name is 4-(fluoromethyl)-1,2-dihydropyrrol-3-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1,2-dihydropyrrol-3-one
PubChem CID173378909
Molecular FormulaC5H6FNO
Molecular Weight115.11 g/mol
Exact Mass115.04
IUPAC Name4-(fluoromethyl)-1,2-dihydropyrrol-3-one
SMILESO=C1CNC=C1CF
InChIInChI=1S/C5H6FNO/c6-1-4-2-7-3-5(4)8/h2,7H,1,3H2
InChIKeyZTMJPGOQGQYGAI-UHFFFAOYSA-N
XLogP0.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1,2-dihydropyrrol-3-one?
The IUPAC name of 4-(fluoromethyl)-1,2-dihydropyrrol-3-one (CID 173378909) is 4-(fluoromethyl)-1,2-dihydropyrrol-3-one.
What is the SMILES notation for 4-(fluoromethyl)-1,2-dihydropyrrol-3-one?
The canonical SMILES for 4-(fluoromethyl)-1,2-dihydropyrrol-3-one is O=C1CNC=C1CF.
What is the InChIKey of 4-(fluoromethyl)-1,2-dihydropyrrol-3-one?
The InChIKey is ZTMJPGOQGQYGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNO/c6-1-4-2-7-3-5(4)8/h2,7H,1,3H2.
What are the key properties of 4-(fluoromethyl)-1,2-dihydropyrrol-3-one?
4-(fluoromethyl)-1,2-dihydropyrrol-3-one has a molecular weight of 115.11 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1,2-dihydropyrrol-3-one is sourced from PubChem (CID 173378909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).