4-fluoro-1-propan-2-ylpyrrolidine-2-thiol

C7H14FNS — CID 138601914

IUPAC4-fluoro-1-propan-2-ylpyrrolidine-2-thiol
SMILESCC(C)N1CC(F)CC1S
InChIInChI=1S/C7H14FNS/c1-5(2)9-4-6(8)3-7(9)10/h5-7,10H,3-4H2,1-2H3
InChIKeyOLZGCHWDIHWXCB-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.69
Rot. Bonds1

About 4-fluoro-1-propan-2-ylpyrrolidine-2-thiol

4-fluoro-1-propan-2-ylpyrrolidine-2-thiol (PubChem CID 138601914) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is 4-fluoro-1-propan-2-ylpyrrolidine-2-thiol.

Molecular Properties

Compound Name4-fluoro-1-propan-2-ylpyrrolidine-2-thiol
PubChem CID138601914
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name4-fluoro-1-propan-2-ylpyrrolidine-2-thiol
SMILESCC(C)N1CC(F)CC1S
InChIInChI=1S/C7H14FNS/c1-5(2)9-4-6(8)3-7(9)10/h5-7,10H,3-4H2,1-2H3
InChIKeyOLZGCHWDIHWXCB-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.69
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 4-fluoro-1-propan-2-ylpyrrolidine-2-thiol?
The IUPAC name of 4-fluoro-1-propan-2-ylpyrrolidine-2-thiol (CID 138601914) is 4-fluoro-1-propan-2-ylpyrrolidine-2-thiol.
What is the SMILES notation for 4-fluoro-1-propan-2-ylpyrrolidine-2-thiol?
The canonical SMILES for 4-fluoro-1-propan-2-ylpyrrolidine-2-thiol is CC(C)N1CC(F)CC1S.
What is the InChIKey of 4-fluoro-1-propan-2-ylpyrrolidine-2-thiol?
The InChIKey is OLZGCHWDIHWXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS/c1-5(2)9-4-6(8)3-7(9)10/h5-7,10H,3-4H2,1-2H3.
What are the key properties of 4-fluoro-1-propan-2-ylpyrrolidine-2-thiol?
4-fluoro-1-propan-2-ylpyrrolidine-2-thiol has a molecular weight of 163.26 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-propan-2-ylpyrrolidine-2-thiol is sourced from PubChem (CID 138601914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).