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

C5H5F2NO — CID 173379153

IUPAC4-(difluoromethyl)-1,2-dihydropyrrol-3-one
SMILESO=C1CNC=C1C(F)F
InChIInChI=1S/C5H5F2NO/c6-5(7)3-1-8-2-4(3)9/h1,5,8H,2H2
InChIKeyDWCVDTPVNWFVQU-UHFFFAOYSA-N
MW133.10 g/mol
LogP0.31
Rot. Bonds1

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

4-(difluoromethyl)-1,2-dihydropyrrol-3-one (PubChem CID 173379153) has the molecular formula C5H5F2NO and a molecular weight of 133.10 g/mol. Its IUPAC name is 4-(difluoromethyl)-1,2-dihydropyrrol-3-one.

Molecular Properties

Compound Name4-(difluoromethyl)-1,2-dihydropyrrol-3-one
PubChem CID173379153
Molecular FormulaC5H5F2NO
Molecular Weight133.10 g/mol
Exact Mass133.03
IUPAC Name4-(difluoromethyl)-1,2-dihydropyrrol-3-one
SMILESO=C1CNC=C1C(F)F
InChIInChI=1S/C5H5F2NO/c6-5(7)3-1-8-2-4(3)9/h1,5,8H,2H2
InChIKeyDWCVDTPVNWFVQU-UHFFFAOYSA-N
XLogP0.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Trifluoroacetyl-2,3-dihydropyrrole
CID 155923306
1-methyl-4-(trifluoromethyl)-2H-pyrrol-3-one
CID 149621005
4-(Trifluoromethyl)-1,2-dihydropyrrol-3-one
CID 151576674
2,4-Bis(difluoromethyl)-1,2-dihydropyrrol-3-one
CID 173378782
4-(Difluoromethyl)-2-(trifluoromethyl)-1,2-dihydropyrrol-3-one
CID 173378801
4-(Difluoromethyl)-2-methyl-1,2-dihydropyrrol-3-one
CID 173378837
4-Methyl-2-(trifluoromethyl)-1,2-dihydropyrrol-3-one
CID 173378886
2-Methyl-4-(trifluoromethyl)-1,2-dihydropyrrol-3-one
CID 173378887
4-(Fluoromethyl)-1,2-dihydropyrrol-3-one
CID 173378909
2-(Fluoromethyl)-4-(trifluoromethyl)-1,2-dihydropyrrol-3-one
CID 173378915
2-Chloro-4-(difluoromethyl)-1,2-dihydropyrrol-3-one
CID 173378947
2-(Difluoromethyl)-4-(fluoromethyl)-1,2-dihydropyrrol-3-one
CID 173378948

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1,2-dihydropyrrol-3-one?
The IUPAC name of 4-(difluoromethyl)-1,2-dihydropyrrol-3-one (CID 173379153) is 4-(difluoromethyl)-1,2-dihydropyrrol-3-one.
What is the SMILES notation for 4-(difluoromethyl)-1,2-dihydropyrrol-3-one?
The canonical SMILES for 4-(difluoromethyl)-1,2-dihydropyrrol-3-one is O=C1CNC=C1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-1,2-dihydropyrrol-3-one?
The InChIKey is DWCVDTPVNWFVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NO/c6-5(7)3-1-8-2-4(3)9/h1,5,8H,2H2.
What are the key properties of 4-(difluoromethyl)-1,2-dihydropyrrol-3-one?
4-(difluoromethyl)-1,2-dihydropyrrol-3-one has a molecular weight of 133.10 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1,2-dihydropyrrol-3-one is sourced from PubChem (CID 173379153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).