1-(2-fluoropropyl)-3-propan-2-ylimidazolidin-2-one

C9H17FN2O — CID 143238844

IUPAC1-(2-fluoropropyl)-3-propan-2-ylimidazolidin-2-one
SMILESCC(F)CN1CCN(C(C)C)C1=O
InChIInChI=1S/C9H17FN2O/c1-7(2)12-5-4-11(9(12)13)6-8(3)10/h7-8H,4-6H2,1-3H3
InChIKeyVSCWPGCYDNPMDY-UHFFFAOYSA-N
MW188.25 g/mol
LogP1.49
Rot. Bonds3

About 1-(2-fluoropropyl)-3-propan-2-ylimidazolidin-2-one

1-(2-fluoropropyl)-3-propan-2-ylimidazolidin-2-one (PubChem CID 143238844) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-(2-fluoropropyl)-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-(2-fluoropropyl)-3-propan-2-ylimidazolidin-2-one
PubChem CID143238844
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name1-(2-fluoropropyl)-3-propan-2-ylimidazolidin-2-one
SMILESCC(F)CN1CCN(C(C)C)C1=O
InChIInChI=1S/C9H17FN2O/c1-7(2)12-5-4-11(9(12)13)6-8(3)10/h7-8H,4-6H2,1-3H3
InChIKeyVSCWPGCYDNPMDY-UHFFFAOYSA-N
XLogP1.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropropyl)-3-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-(2-fluoropropyl)-3-propan-2-ylimidazolidin-2-one (CID 143238844) is 1-(2-fluoropropyl)-3-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-(2-fluoropropyl)-3-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-(2-fluoropropyl)-3-propan-2-ylimidazolidin-2-one is CC(F)CN1CCN(C(C)C)C1=O.
What is the InChIKey of 1-(2-fluoropropyl)-3-propan-2-ylimidazolidin-2-one?
The InChIKey is VSCWPGCYDNPMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-7(2)12-5-4-11(9(12)13)6-8(3)10/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-(2-fluoropropyl)-3-propan-2-ylimidazolidin-2-one?
1-(2-fluoropropyl)-3-propan-2-ylimidazolidin-2-one has a molecular weight of 188.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoropropyl)-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 143238844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).