(3,3-difluorocyclopentyl) thiohypochlorite

C5H7ClF2S — CID 126731702

IUPAC(3,3-difluorocyclopentyl) thiohypochlorite
SMILESFC1(F)CCC(SCl)C1
InChIInChI=1S/C5H7ClF2S/c6-9-4-1-2-5(7,8)3-4/h4H,1-3H2
InChIKeyOIMGVNMXVRTPOI-UHFFFAOYSA-N
MW172.63 g/mol
LogP3.06
Rot. Bonds1

About (3,3-difluorocyclopentyl) thiohypochlorite

(3,3-difluorocyclopentyl) thiohypochlorite (PubChem CID 126731702) has the molecular formula C5H7ClF2S and a molecular weight of 172.63 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl) thiohypochlorite.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl) thiohypochlorite
PubChem CID126731702
Molecular FormulaC5H7ClF2S
Molecular Weight172.63 g/mol
Exact Mass171.99
IUPAC Name(3,3-difluorocyclopentyl) thiohypochlorite
SMILESFC1(F)CCC(SCl)C1
InChIInChI=1S/C5H7ClF2S/c6-9-4-1-2-5(7,8)3-4/h4H,1-3H2
InChIKeyOIMGVNMXVRTPOI-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.63
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3,3-difluorocyclopentyl) thiohypochlorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-Difluorocyclopentane-1-thiol
CID 117899637
2,2-Difluorocyclopentane-1-thiol
CID 123974985
(3-Fluorocyclopentyl) thiohypochlorite
CID 126731502
(1R)-3,3-difluorocyclopentane-1-thiol
CID 149196884
(Trifluoromethyldisulfanyl)cyclopentane
CID 85669117
(1S)-3,3-difluorocyclopentane-1-thiol
CID 149196883

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl) thiohypochlorite?
The IUPAC name of (3,3-difluorocyclopentyl) thiohypochlorite (CID 126731702) is (3,3-difluorocyclopentyl) thiohypochlorite.
What is the SMILES notation for (3,3-difluorocyclopentyl) thiohypochlorite?
The canonical SMILES for (3,3-difluorocyclopentyl) thiohypochlorite is FC1(F)CCC(SCl)C1.
What is the InChIKey of (3,3-difluorocyclopentyl) thiohypochlorite?
The InChIKey is OIMGVNMXVRTPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClF2S/c6-9-4-1-2-5(7,8)3-4/h4H,1-3H2.
What are the key properties of (3,3-difluorocyclopentyl) thiohypochlorite?
(3,3-difluorocyclopentyl) thiohypochlorite has a molecular weight of 172.63 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclopentyl) thiohypochlorite is sourced from PubChem (CID 126731702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).