1-ethyl-3-(3-fluoropropyl)imidazol-2-one

C8H13FN2O — CID 116624395

IUPAC1-ethyl-3-(3-fluoropropyl)imidazol-2-one
SMILESCCn1ccn(CCCF)c1=O
InChIInChI=1S/C8H13FN2O/c1-2-10-6-7-11(8(10)12)5-3-4-9/h6-7H,2-5H2,1H3
InChIKeyYQZWIABKCAAJNT-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.03
Rot. Bonds4

About 1-ethyl-3-(3-fluoropropyl)imidazol-2-one

1-ethyl-3-(3-fluoropropyl)imidazol-2-one (PubChem CID 116624395) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is 1-ethyl-3-(3-fluoropropyl)imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-(3-fluoropropyl)imidazol-2-one
PubChem CID116624395
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name1-ethyl-3-(3-fluoropropyl)imidazol-2-one
SMILESCCn1ccn(CCCF)c1=O
InChIInChI=1S/C8H13FN2O/c1-2-10-6-7-11(8(10)12)5-3-4-9/h6-7H,2-5H2,1H3
InChIKeyYQZWIABKCAAJNT-UHFFFAOYSA-N
XLogP1.03
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-fluoropropyl)imidazol-2-one?
The IUPAC name of 1-ethyl-3-(3-fluoropropyl)imidazol-2-one (CID 116624395) is 1-ethyl-3-(3-fluoropropyl)imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-(3-fluoropropyl)imidazol-2-one?
The canonical SMILES for 1-ethyl-3-(3-fluoropropyl)imidazol-2-one is CCn1ccn(CCCF)c1=O.
What is the InChIKey of 1-ethyl-3-(3-fluoropropyl)imidazol-2-one?
The InChIKey is YQZWIABKCAAJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-2-10-6-7-11(8(10)12)5-3-4-9/h6-7H,2-5H2,1H3.
What are the key properties of 1-ethyl-3-(3-fluoropropyl)imidazol-2-one?
1-ethyl-3-(3-fluoropropyl)imidazol-2-one has a molecular weight of 172.20 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-fluoropropyl)imidazol-2-one is sourced from PubChem (CID 116624395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).