3-(fluoromethyl)-5-(hydroxymethyl)pyrrolidin-2-one

C6H10FNO2 — CID 166972552

IUPAC3-(fluoromethyl)-5-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1NC(CO)CC1CF
InChIInChI=1S/C6H10FNO2/c7-2-4-1-5(3-9)8-6(4)10/h4-5,9H,1-3H2,(H,8,10)
InChIKeyCUZLXSYVTHIAFS-UHFFFAOYSA-N
MW147.15 g/mol
LogP-0.55
Rot. Bonds2

About 3-(fluoromethyl)-5-(hydroxymethyl)pyrrolidin-2-one

3-(fluoromethyl)-5-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 166972552) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is 3-(fluoromethyl)-5-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(fluoromethyl)-5-(hydroxymethyl)pyrrolidin-2-one
PubChem CID166972552
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name3-(fluoromethyl)-5-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1NC(CO)CC1CF
InChIInChI=1S/C6H10FNO2/c7-2-4-1-5(3-9)8-6(4)10/h4-5,9H,1-3H2,(H,8,10)
InChIKeyCUZLXSYVTHIAFS-UHFFFAOYSA-N
XLogP-0.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5S)-3-ethyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 51401118
(3R,5S)-3-(3-fluorooxetan-3-yl)-5-(hydroxymethyl)pyrrolidin-2-one
CID 118414356
(3S,6S)-3-benzyl-6-(hydroxymethyl)piperidin-2-one
CID 11830950
3,5-bis(sulfanylmethyl)pyrrolidin-2-one
CID 19378106
4-(fluoromethyl)azetidin-2-one
CID 54536465
3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one;ethane
CID 143764227
tert-butyl 2-[10-(hydroxymethyl)-2-oxoazecan-3-yl]acetate
CID 19930843
3-(2-fluorophenyl)-7-[(3S)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2H-isoquinolin-1-one
CID 141261686
5-[[benzyl(2-hydroxyethyl)amino]methyl]-3-prop-2-ynylpyrrolidin-2-one
CID 175110365
(1R,4R,6R)-6-(hydroxymethyl)-2-azabicyclo[2.2.1]heptan-3-one
CID 130898747
ethane;4-(hydroxymethyl)-1-methylimidazolidin-2-one
CID 170608937
2-amino-6-(hydroxymethyl)-1,3-diazinan-4-one
CID 74659874

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-5-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 3-(fluoromethyl)-5-(hydroxymethyl)pyrrolidin-2-one (CID 166972552) is 3-(fluoromethyl)-5-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(fluoromethyl)-5-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(fluoromethyl)-5-(hydroxymethyl)pyrrolidin-2-one is O=C1NC(CO)CC1CF.
What is the InChIKey of 3-(fluoromethyl)-5-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is CUZLXSYVTHIAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2/c7-2-4-1-5(3-9)8-6(4)10/h4-5,9H,1-3H2,(H,8,10).
What are the key properties of 3-(fluoromethyl)-5-(hydroxymethyl)pyrrolidin-2-one?
3-(fluoromethyl)-5-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 147.15 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-5-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 166972552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).