1-(3-fluoropyrrolidin-3-yl)-2-(propan-2-ylamino)ethanone

C9H17FN2O — CID 146329193

IUPAC1-(3-fluoropyrrolidin-3-yl)-2-(propan-2-ylamino)ethanone
SMILESCC(C)NCC(=O)C1(F)CCNC1
InChIInChI=1S/C9H17FN2O/c1-7(2)12-5-8(13)9(10)3-4-11-6-9/h7,11-12H,3-6H2,1-2H3
InChIKeyBEIGLLOZERVESY-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.26
Rot. Bonds4

About 1-(3-fluoropyrrolidin-3-yl)-2-(propan-2-ylamino)ethanone

1-(3-fluoropyrrolidin-3-yl)-2-(propan-2-ylamino)ethanone (PubChem CID 146329193) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-(3-fluoropyrrolidin-3-yl)-2-(propan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(3-fluoropyrrolidin-3-yl)-2-(propan-2-ylamino)ethanone
PubChem CID146329193
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name1-(3-fluoropyrrolidin-3-yl)-2-(propan-2-ylamino)ethanone
SMILESCC(C)NCC(=O)C1(F)CCNC1
InChIInChI=1S/C9H17FN2O/c1-7(2)12-5-8(13)9(10)3-4-11-6-9/h7,11-12H,3-6H2,1-2H3
InChIKeyBEIGLLOZERVESY-UHFFFAOYSA-N
XLogP0.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropyrrolidin-3-yl)-2-(propan-2-ylamino)ethanone?
The IUPAC name of 1-(3-fluoropyrrolidin-3-yl)-2-(propan-2-ylamino)ethanone (CID 146329193) is 1-(3-fluoropyrrolidin-3-yl)-2-(propan-2-ylamino)ethanone.
What is the SMILES notation for 1-(3-fluoropyrrolidin-3-yl)-2-(propan-2-ylamino)ethanone?
The canonical SMILES for 1-(3-fluoropyrrolidin-3-yl)-2-(propan-2-ylamino)ethanone is CC(C)NCC(=O)C1(F)CCNC1.
What is the InChIKey of 1-(3-fluoropyrrolidin-3-yl)-2-(propan-2-ylamino)ethanone?
The InChIKey is BEIGLLOZERVESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-7(2)12-5-8(13)9(10)3-4-11-6-9/h7,11-12H,3-6H2,1-2H3.
What are the key properties of 1-(3-fluoropyrrolidin-3-yl)-2-(propan-2-ylamino)ethanone?
1-(3-fluoropyrrolidin-3-yl)-2-(propan-2-ylamino)ethanone has a molecular weight of 188.25 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropyrrolidin-3-yl)-2-(propan-2-ylamino)ethanone is sourced from PubChem (CID 146329193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).