1-(fluoromethyl)pyrrolidin-2-one;dihydrochloride

C5H10Cl2FNO — CID 141325975

IUPAC1-(fluoromethyl)pyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.O=C1CCCN1CF
InChIInChI=1S/C5H8FNO.2ClH/c6-4-7-3-1-2-5(7)8;;/h1-4H2;2*1H
InChIKeyUJMJAKPGFBSSRH-UHFFFAOYSA-N
MW190.04 g/mol
LogP1.38
Rot. Bonds1

About 1-(fluoromethyl)pyrrolidin-2-one;dihydrochloride

1-(fluoromethyl)pyrrolidin-2-one;dihydrochloride (PubChem CID 141325975) has the molecular formula C5H10Cl2FNO and a molecular weight of 190.04 g/mol. Its IUPAC name is 1-(fluoromethyl)pyrrolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name1-(fluoromethyl)pyrrolidin-2-one;dihydrochloride
PubChem CID141325975
Molecular FormulaC5H10Cl2FNO
Molecular Weight190.04 g/mol
Exact Mass189.01
IUPAC Name1-(fluoromethyl)pyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.O=C1CCCN1CF
InChIInChI=1S/C5H8FNO.2ClH/c6-4-7-3-1-2-5(7)8;;/h1-4H2;2*1H
InChIKeyUJMJAKPGFBSSRH-UHFFFAOYSA-N
XLogP1.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-[(2-oxopyrrolidin-1-yl)methoxymethyl]pyrrolidin-2-one
CID 56986505
1-ethylpyrrolidin-2-one;hydrazine
CID 159147234
2-(2-oxopyrrolidin-1-yl)ethylazanium
CID 7446746
1-(2-silylethyl)pyrrolidin-2-one
CID 154480854
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride
CID 56604167
1-[(2-oxoazepan-1-yl)methyl]azepan-2-one
CID 11746692
arsane;1-(2-hydroxyethyl)pyrrolidin-2-one
CID 174911308
2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid
CID 57303794
ethane;1-ethylpyrrolidin-2-one;methanethiol
CID 91355228
trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium
CID 3038567
azane;1-(2-bromoethyl)pyrrolidin-2-one
CID 174693933

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)pyrrolidin-2-one;dihydrochloride?
The IUPAC name of 1-(fluoromethyl)pyrrolidin-2-one;dihydrochloride (CID 141325975) is 1-(fluoromethyl)pyrrolidin-2-one;dihydrochloride.
What is the SMILES notation for 1-(fluoromethyl)pyrrolidin-2-one;dihydrochloride?
The canonical SMILES for 1-(fluoromethyl)pyrrolidin-2-one;dihydrochloride is Cl.Cl.O=C1CCCN1CF.
What is the InChIKey of 1-(fluoromethyl)pyrrolidin-2-one;dihydrochloride?
The InChIKey is UJMJAKPGFBSSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO.2ClH/c6-4-7-3-1-2-5(7)8;;/h1-4H2;2*1H.
What are the key properties of 1-(fluoromethyl)pyrrolidin-2-one;dihydrochloride?
1-(fluoromethyl)pyrrolidin-2-one;dihydrochloride has a molecular weight of 190.04 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)pyrrolidin-2-one;dihydrochloride is sourced from PubChem (CID 141325975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).