2,2-difluorocyclopentane-1-thiol

C5H8F2S — CID 123974985

IUPAC2,2-difluorocyclopentane-1-thiol
SMILESFC1(F)CCCC1S
InChIInChI=1S/C5H8F2S/c6-5(7)3-1-2-4(5)8/h4,8H,1-3H2
InChIKeyXELAAMREZHYXBB-UHFFFAOYSA-N
MW138.18 g/mol
LogP2.10
Rot. Bonds

About 2,2-difluorocyclopentane-1-thiol

2,2-difluorocyclopentane-1-thiol (PubChem CID 123974985) has the molecular formula C5H8F2S and a molecular weight of 138.18 g/mol. Its IUPAC name is 2,2-difluorocyclopentane-1-thiol.

Molecular Properties

Compound Name2,2-difluorocyclopentane-1-thiol
PubChem CID123974985
Molecular FormulaC5H8F2S
Molecular Weight138.18 g/mol
Exact Mass138.03
IUPAC Name2,2-difluorocyclopentane-1-thiol
SMILESFC1(F)CCCC1S
InChIInChI=1S/C5H8F2S/c6-5(7)3-1-2-4(5)8/h4,8H,1-3H2
InChIKeyXELAAMREZHYXBB-UHFFFAOYSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.18
LogP ≤ 52.10
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

3-Fluorocyclopentane-1-thiol
CID 23290228
5,5,5-Trifluoropentylmercaptan
CID 56604698
6,6,6-Trifluorohexylmercaptan
CID 56604702
4,4-Difluorobutane-1-thiol
CID 57204439
5,5-Difluoropentane-1-thiol
CID 87165038
4,4-Difluoropentane-1-thiol
CID 88883154
3,3-Difluorocyclopentane-1-thiol
CID 117899637
4,4-Difluoropentane-2-thiol
CID 126710061
(3,3-Difluorocyclopentyl) thiohypochlorite
CID 126731702
5,5,5-Trifluoropentane-2-thiol
CID 142924298
(1R)-3,3-difluorocyclopentane-1-thiol
CID 149196884
1,2-Difluorocyclopentane-1-thiol
CID 173270141

Frequently Asked Questions

What is the IUPAC name of 2,2-difluorocyclopentane-1-thiol?
The IUPAC name of 2,2-difluorocyclopentane-1-thiol (CID 123974985) is 2,2-difluorocyclopentane-1-thiol.
What is the SMILES notation for 2,2-difluorocyclopentane-1-thiol?
The canonical SMILES for 2,2-difluorocyclopentane-1-thiol is FC1(F)CCCC1S.
What is the InChIKey of 2,2-difluorocyclopentane-1-thiol?
The InChIKey is XELAAMREZHYXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2S/c6-5(7)3-1-2-4(5)8/h4,8H,1-3H2.
What are the key properties of 2,2-difluorocyclopentane-1-thiol?
2,2-difluorocyclopentane-1-thiol has a molecular weight of 138.18 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorocyclopentane-1-thiol is sourced from PubChem (CID 123974985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).