3-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one

C9H16FNO — CID 170767388

IUPAC3-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)CF)C1
InChIInChI=1S/C9H16FNO/c1-7-3-4-11(6-7)9(12)8(2)5-10/h7-8H,3-6H2,1-2H3
InChIKeyMAKDLCXWWBWWQN-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.46
Rot. Bonds2

About 3-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one

3-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one (PubChem CID 170767388) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 3-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
PubChem CID170767388
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name3-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)CF)C1
InChIInChI=1S/C9H16FNO/c1-7-3-4-11(6-7)9(12)8(2)5-10/h7-8H,3-6H2,1-2H3
InChIKeyMAKDLCXWWBWWQN-UHFFFAOYSA-N
XLogP1.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one (CID 170767388) is 3-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one is CC1CCN(C(=O)C(C)CF)C1.
What is the InChIKey of 3-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one?
The InChIKey is MAKDLCXWWBWWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-7-3-4-11(6-7)9(12)8(2)5-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one?
3-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one has a molecular weight of 173.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 170767388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).