1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one

C9H16FNOS — CID 126792733

IUPAC1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one
SMILESCSC(C)C(=O)N1CCCC1CF
InChIInChI=1S/C9H16FNOS/c1-7(13-2)9(12)11-5-3-4-8(11)6-10/h7-8H,3-6H2,1-2H3
InChIKeyVHZBDMZRONZYDB-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.70
Rot. Bonds3

About 1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one

1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one (PubChem CID 126792733) has the molecular formula C9H16FNOS and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one
PubChem CID126792733
Molecular FormulaC9H16FNOS
Molecular Weight205.30 g/mol
Exact Mass205.09
IUPAC Name1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one
SMILESCSC(C)C(=O)N1CCCC1CF
InChIInChI=1S/C9H16FNOS/c1-7(13-2)9(12)11-5-3-4-8(11)6-10/h7-8H,3-6H2,1-2H3
InChIKeyVHZBDMZRONZYDB-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one?
The IUPAC name of 1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one (CID 126792733) is 1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one.
What is the SMILES notation for 1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one?
The canonical SMILES for 1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one is CSC(C)C(=O)N1CCCC1CF.
What is the InChIKey of 1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one?
The InChIKey is VHZBDMZRONZYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNOS/c1-7(13-2)9(12)11-5-3-4-8(11)6-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one?
1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one has a molecular weight of 205.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one is sourced from PubChem (CID 126792733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).