4-(2,2-difluoroethyl)thiolan-3-amine

C6H11F2NS — CID 115013309

IUPAC4-(2,2-difluoroethyl)thiolan-3-amine
SMILESNC1CSCC1CC(F)F
InChIInChI=1S/C6H11F2NS/c7-6(8)1-4-2-10-3-5(4)9/h4-6H,1-3,9H2
InChIKeyOWZAILPPEUQASG-UHFFFAOYSA-N
MW167.22 g/mol
LogP1.33
Rot. Bonds2

About 4-(2,2-difluoroethyl)thiolan-3-amine

4-(2,2-difluoroethyl)thiolan-3-amine (PubChem CID 115013309) has the molecular formula C6H11F2NS and a molecular weight of 167.22 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)thiolan-3-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)thiolan-3-amine
PubChem CID115013309
Molecular FormulaC6H11F2NS
Molecular Weight167.22 g/mol
Exact Mass167.06
IUPAC Name4-(2,2-difluoroethyl)thiolan-3-amine
SMILESNC1CSCC1CC(F)F
InChIInChI=1S/C6H11F2NS/c7-6(8)1-4-2-10-3-5(4)9/h4-6H,1-3,9H2
InChIKeyOWZAILPPEUQASG-UHFFFAOYSA-N
XLogP1.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,2-difluoroethyl)thiolan-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)thiolan-3-amine?
The IUPAC name of 4-(2,2-difluoroethyl)thiolan-3-amine (CID 115013309) is 4-(2,2-difluoroethyl)thiolan-3-amine.
What is the SMILES notation for 4-(2,2-difluoroethyl)thiolan-3-amine?
The canonical SMILES for 4-(2,2-difluoroethyl)thiolan-3-amine is NC1CSCC1CC(F)F.
What is the InChIKey of 4-(2,2-difluoroethyl)thiolan-3-amine?
The InChIKey is OWZAILPPEUQASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NS/c7-6(8)1-4-2-10-3-5(4)9/h4-6H,1-3,9H2.
What are the key properties of 4-(2,2-difluoroethyl)thiolan-3-amine?
4-(2,2-difluoroethyl)thiolan-3-amine has a molecular weight of 167.22 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)thiolan-3-amine is sourced from PubChem (CID 115013309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).