1-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]ethanethiol

C11H20FNOS — CID 175637060

IUPAC1-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]ethanethiol
SMILESCC(S)OCC1(CN2CC[C@@H](F)C2)CC1
InChIInChI=1S/C11H20FNOS/c1-9(15)14-8-11(3-4-11)7-13-5-2-10(12)6-13/h9-10,15H,2-8H2,1H3/t9?,10-/m1/s1
InChIKeyUEQIJPSAOVGMOH-QVDQXJPCSA-N
MW233.35 g/mol
LogP2.10
Rot. Bonds5

About 1-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]ethanethiol

1-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]ethanethiol (PubChem CID 175637060) has the molecular formula C11H20FNOS and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]ethanethiol.

Molecular Properties

Compound Name1-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]ethanethiol
PubChem CID175637060
Molecular FormulaC11H20FNOS
Molecular Weight233.35 g/mol
Exact Mass233.12
IUPAC Name1-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]ethanethiol
SMILESCC(S)OCC1(CN2CC[C@@H](F)C2)CC1
InChIInChI=1S/C11H20FNOS/c1-9(15)14-8-11(3-4-11)7-13-5-2-10(12)6-13/h9-10,15H,2-8H2,1H3/t9?,10-/m1/s1
InChIKeyUEQIJPSAOVGMOH-QVDQXJPCSA-N
XLogP2.10
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]ethanethiol?
The IUPAC name of 1-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]ethanethiol (CID 175637060) is 1-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]ethanethiol.
What is the SMILES notation for 1-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]ethanethiol?
The canonical SMILES for 1-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]ethanethiol is CC(S)OCC1(CN2CC[C@@H](F)C2)CC1.
What is the InChIKey of 1-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]ethanethiol?
The InChIKey is UEQIJPSAOVGMOH-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H20FNOS/c1-9(15)14-8-11(3-4-11)7-13-5-2-10(12)6-13/h9-10,15H,2-8H2,1H3/t9?,10-/m1/s1.
What are the key properties of 1-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]ethanethiol?
1-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]ethanethiol has a molecular weight of 233.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]ethanethiol is sourced from PubChem (CID 175637060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).