(2-fluorocyclopropyl)-(3-methyl-3-sulfanylpyrrolidin-1-yl)methanone

C9H14FNOS — CID 123214720

IUPAC(2-fluorocyclopropyl)-(3-methyl-3-sulfanylpyrrolidin-1-yl)methanone
SMILESCC1(S)CCN(C(=O)C2CC2F)C1
InChIInChI=1S/C9H14FNOS/c1-9(13)2-3-11(5-9)8(12)6-4-7(6)10/h6-7,13H,2-5H2,1H3
InChIKeyAAPWFZBVKSVDET-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.27
Rot. Bonds1

About (2-fluorocyclopropyl)-(3-methyl-3-sulfanylpyrrolidin-1-yl)methanone

(2-fluorocyclopropyl)-(3-methyl-3-sulfanylpyrrolidin-1-yl)methanone (PubChem CID 123214720) has the molecular formula C9H14FNOS and a molecular weight of 203.28 g/mol. Its IUPAC name is (2-fluorocyclopropyl)-(3-methyl-3-sulfanylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluorocyclopropyl)-(3-methyl-3-sulfanylpyrrolidin-1-yl)methanone
PubChem CID123214720
Molecular FormulaC9H14FNOS
Molecular Weight203.28 g/mol
Exact Mass203.08
IUPAC Name(2-fluorocyclopropyl)-(3-methyl-3-sulfanylpyrrolidin-1-yl)methanone
SMILESCC1(S)CCN(C(=O)C2CC2F)C1
InChIInChI=1S/C9H14FNOS/c1-9(13)2-3-11(5-9)8(12)6-4-7(6)10/h6-7,13H,2-5H2,1H3
InChIKeyAAPWFZBVKSVDET-UHFFFAOYSA-N
XLogP1.27
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-fluorocyclopropyl)-(3-methyl-3-sulfanylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-fluorocyclopropyl)-(3-methyl-3-sulfanylpyrrolidin-1-yl)methanone (CID 123214720) is (2-fluorocyclopropyl)-(3-methyl-3-sulfanylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-fluorocyclopropyl)-(3-methyl-3-sulfanylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-fluorocyclopropyl)-(3-methyl-3-sulfanylpyrrolidin-1-yl)methanone is CC1(S)CCN(C(=O)C2CC2F)C1.
What is the InChIKey of (2-fluorocyclopropyl)-(3-methyl-3-sulfanylpyrrolidin-1-yl)methanone?
The InChIKey is AAPWFZBVKSVDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNOS/c1-9(13)2-3-11(5-9)8(12)6-4-7(6)10/h6-7,13H,2-5H2,1H3.
What are the key properties of (2-fluorocyclopropyl)-(3-methyl-3-sulfanylpyrrolidin-1-yl)methanone?
(2-fluorocyclopropyl)-(3-methyl-3-sulfanylpyrrolidin-1-yl)methanone has a molecular weight of 203.28 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorocyclopropyl)-(3-methyl-3-sulfanylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 123214720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).