1-(3-fluoropropyl)-3-methylimidazol-2-one

C7H11FN2O — CID 116624625

IUPAC1-(3-fluoropropyl)-3-methylimidazol-2-one
SMILESCn1ccn(CCCF)c1=O
InChIInChI=1S/C7H11FN2O/c1-9-5-6-10(7(9)11)4-2-3-8/h5-6H,2-4H2,1H3
InChIKeyIQWFGLRWFFLTGY-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.55
Rot. Bonds3

About 1-(3-fluoropropyl)-3-methylimidazol-2-one

1-(3-fluoropropyl)-3-methylimidazol-2-one (PubChem CID 116624625) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-(3-fluoropropyl)-3-methylimidazol-2-one
PubChem CID116624625
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name1-(3-fluoropropyl)-3-methylimidazol-2-one
SMILESCn1ccn(CCCF)c1=O
InChIInChI=1S/C7H11FN2O/c1-9-5-6-10(7(9)11)4-2-3-8/h5-6H,2-4H2,1H3
InChIKeyIQWFGLRWFFLTGY-UHFFFAOYSA-N
XLogP0.55
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-3-methylimidazol-2-one?
The IUPAC name of 1-(3-fluoropropyl)-3-methylimidazol-2-one (CID 116624625) is 1-(3-fluoropropyl)-3-methylimidazol-2-one.
What is the SMILES notation for 1-(3-fluoropropyl)-3-methylimidazol-2-one?
The canonical SMILES for 1-(3-fluoropropyl)-3-methylimidazol-2-one is Cn1ccn(CCCF)c1=O.
What is the InChIKey of 1-(3-fluoropropyl)-3-methylimidazol-2-one?
The InChIKey is IQWFGLRWFFLTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-9-5-6-10(7(9)11)4-2-3-8/h5-6H,2-4H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-3-methylimidazol-2-one?
1-(3-fluoropropyl)-3-methylimidazol-2-one has a molecular weight of 158.18 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-3-methylimidazol-2-one is sourced from PubChem (CID 116624625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).