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

C5H6FNO — CID 173378861

IUPAC2-(fluoromethyl)-1,2-dihydropyrrol-3-one
SMILESO=C1C=CNC1CF
InChIInChI=1S/C5H6FNO/c6-3-4-5(8)1-2-7-4/h1-2,4,7H,3H2
InChIKeyVPQNITSXITVWBC-UHFFFAOYSA-N
MW115.11 g/mol
LogP0.01
Rot. Bonds1

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

2-(fluoromethyl)-1,2-dihydropyrrol-3-one (PubChem CID 173378861) has the molecular formula C5H6FNO and a molecular weight of 115.11 g/mol. Its IUPAC name is 2-(fluoromethyl)-1,2-dihydropyrrol-3-one.

Molecular Properties

Compound Name2-(fluoromethyl)-1,2-dihydropyrrol-3-one
PubChem CID173378861
Molecular FormulaC5H6FNO
Molecular Weight115.11 g/mol
Exact Mass115.04
IUPAC Name2-(fluoromethyl)-1,2-dihydropyrrol-3-one
SMILESO=C1C=CNC1CF
InChIInChI=1S/C5H6FNO/c6-3-4-5(8)1-2-7-4/h1-2,4,7H,3H2
InChIKeyVPQNITSXITVWBC-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 2-(fluoromethyl)-1,2-dihydropyrrol-3-one?
The IUPAC name of 2-(fluoromethyl)-1,2-dihydropyrrol-3-one (CID 173378861) is 2-(fluoromethyl)-1,2-dihydropyrrol-3-one.
What is the SMILES notation for 2-(fluoromethyl)-1,2-dihydropyrrol-3-one?
The canonical SMILES for 2-(fluoromethyl)-1,2-dihydropyrrol-3-one is O=C1C=CNC1CF.
What is the InChIKey of 2-(fluoromethyl)-1,2-dihydropyrrol-3-one?
The InChIKey is VPQNITSXITVWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNO/c6-3-4-5(8)1-2-7-4/h1-2,4,7H,3H2.
What are the key properties of 2-(fluoromethyl)-1,2-dihydropyrrol-3-one?
2-(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 2-(fluoromethyl)-1,2-dihydropyrrol-3-one is sourced from PubChem (CID 173378861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).