3-fluorocyclopentane-1-thiol

C5H9FS — CID 23290228

IUPAC3-fluorocyclopentane-1-thiol
SMILESFC1CCC(S)C1
InChIInChI=1S/C5H9FS/c6-4-1-2-5(7)3-4/h4-5,7H,1-3H2
InChIKeyIXBZRRBFLSTSMI-UHFFFAOYSA-N
MW120.19 g/mol
LogP1.81
Rot. Bonds

About 3-fluorocyclopentane-1-thiol

3-fluorocyclopentane-1-thiol (PubChem CID 23290228) has the molecular formula C5H9FS and a molecular weight of 120.19 g/mol. Its IUPAC name is 3-fluorocyclopentane-1-thiol.

Molecular Properties

Compound Name3-fluorocyclopentane-1-thiol
PubChem CID23290228
Molecular FormulaC5H9FS
Molecular Weight120.19 g/mol
Exact Mass120.04
IUPAC Name3-fluorocyclopentane-1-thiol
SMILESFC1CCC(S)C1
InChIInChI=1S/C5H9FS/c6-4-1-2-5(7)3-4/h4-5,7H,1-3H2
InChIKeyIXBZRRBFLSTSMI-UHFFFAOYSA-N
XLogP1.81
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclopentanethiol
CID 15510
Hexanethiol, 6-fluoro-
CID 9853
5-Fluoropentane-1-thiol
CID 3029712
1-Fluoropentane-2-thiol
CID 11622332
1-Fluoropentane-1-thiol
CID 21646665
3-Fluoropentane-1-thiol
CID 87282676
4-Fluoropentane-1-thiol
CID 87282782
2-Fluoropentane-1-thiol
CID 87282891
1-Fluorocyclopentane-1-thiol
CID 88183367
(1R)-1-fluoropentane-1-thiol
CID 117615197
3,3-Difluorocyclopentane-1-thiol
CID 117899637
2,2-Difluorocyclopentane-1-thiol
CID 123974985

Frequently Asked Questions

What is the IUPAC name of 3-fluorocyclopentane-1-thiol?
The IUPAC name of 3-fluorocyclopentane-1-thiol (CID 23290228) is 3-fluorocyclopentane-1-thiol.
What is the SMILES notation for 3-fluorocyclopentane-1-thiol?
The canonical SMILES for 3-fluorocyclopentane-1-thiol is FC1CCC(S)C1.
What is the InChIKey of 3-fluorocyclopentane-1-thiol?
The InChIKey is IXBZRRBFLSTSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FS/c6-4-1-2-5(7)3-4/h4-5,7H,1-3H2.
What are the key properties of 3-fluorocyclopentane-1-thiol?
3-fluorocyclopentane-1-thiol has a molecular weight of 120.19 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorocyclopentane-1-thiol is sourced from PubChem (CID 23290228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).