1-(3-fluoropropyl)pyrrolidine-3-thiol

C7H14FNS — CID 142509032

IUPAC1-(3-fluoropropyl)pyrrolidine-3-thiol
SMILESFCCCN1CCC(S)C1
InChIInChI=1S/C7H14FNS/c8-3-1-4-9-5-2-7(10)6-9/h7,10H,1-6H2
InChIKeyGMRNHRNFXQJYPB-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.35
Rot. Bonds3

About 1-(3-fluoropropyl)pyrrolidine-3-thiol

1-(3-fluoropropyl)pyrrolidine-3-thiol (PubChem CID 142509032) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-(3-fluoropropyl)pyrrolidine-3-thiol.

Molecular Properties

Compound Name1-(3-fluoropropyl)pyrrolidine-3-thiol
PubChem CID142509032
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name1-(3-fluoropropyl)pyrrolidine-3-thiol
SMILESFCCCN1CCC(S)C1
InChIInChI=1S/C7H14FNS/c8-3-1-4-9-5-2-7(10)6-9/h7,10H,1-6H2
InChIKeyGMRNHRNFXQJYPB-UHFFFAOYSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Fluoroethyl)pyrrolidine-3-thiol
CID 18792696
(3,3-Difluoropyrrolidin-1-yl)methanethiol
CID 116991592
1-(2,2,2-Trifluoroethyl)pyrrolidine-3-thiol
CID 123926121
3-[(3S)-3-fluoropyrrolidin-1-yl]propane-1-thiol
CID 130437346
(3R)-3-fluoro-1-(1-methylsulfanylethyl)pyrrolidine
CID 134184047
1-[(3R)-3-fluoropyrrolidin-1-yl]ethanethiol
CID 135291662
4-Fluoro-1-propan-2-ylpyrrolidine-2-thiol
CID 138601914
3-[(3R)-3-fluoropyrrolidin-1-yl]prop-1-yne-1-thiol
CID 146554292
1-(3-Fluoropyrrolidin-1-yl)ethanethiol
CID 147609436
(2S)-1-(2,2-difluoroethyl)pyrrolidine-2-thiol
CID 148453341
1-(3,3-Difluoropyrrolidin-1-yl)ethanethiol
CID 148757677
4,4-Difluoro-1-methylpyrrolidine-2-thiol
CID 148828927

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)pyrrolidine-3-thiol?
The IUPAC name of 1-(3-fluoropropyl)pyrrolidine-3-thiol (CID 142509032) is 1-(3-fluoropropyl)pyrrolidine-3-thiol.
What is the SMILES notation for 1-(3-fluoropropyl)pyrrolidine-3-thiol?
The canonical SMILES for 1-(3-fluoropropyl)pyrrolidine-3-thiol is FCCCN1CCC(S)C1.
What is the InChIKey of 1-(3-fluoropropyl)pyrrolidine-3-thiol?
The InChIKey is GMRNHRNFXQJYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS/c8-3-1-4-9-5-2-7(10)6-9/h7,10H,1-6H2.
What are the key properties of 1-(3-fluoropropyl)pyrrolidine-3-thiol?
1-(3-fluoropropyl)pyrrolidine-3-thiol has a molecular weight of 163.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)pyrrolidine-3-thiol is sourced from PubChem (CID 142509032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).