4-ethyl-1-ethylsulfanyl-2,2-difluoropiperidine

C9H17F2NS — CID 155034027

IUPAC4-ethyl-1-ethylsulfanyl-2,2-difluoropiperidine
SMILESCCSN1CCC(CC)CC1(F)F
InChIInChI=1S/C9H17F2NS/c1-3-8-5-6-12(13-4-2)9(10,11)7-8/h8H,3-7H2,1-2H3
InChIKeyURZSQHTXJMKICH-UHFFFAOYSA-N
MW209.30 g/mol
LogP3.37
Rot. Bonds3

About 4-ethyl-1-ethylsulfanyl-2,2-difluoropiperidine

4-ethyl-1-ethylsulfanyl-2,2-difluoropiperidine (PubChem CID 155034027) has the molecular formula C9H17F2NS and a molecular weight of 209.30 g/mol. Its IUPAC name is 4-ethyl-1-ethylsulfanyl-2,2-difluoropiperidine.

Molecular Properties

Compound Name4-ethyl-1-ethylsulfanyl-2,2-difluoropiperidine
PubChem CID155034027
Molecular FormulaC9H17F2NS
Molecular Weight209.30 g/mol
Exact Mass209.10
IUPAC Name4-ethyl-1-ethylsulfanyl-2,2-difluoropiperidine
SMILESCCSN1CCC(CC)CC1(F)F
InChIInChI=1S/C9H17F2NS/c1-3-8-5-6-12(13-4-2)9(10,11)7-8/h8H,3-7H2,1-2H3
InChIKeyURZSQHTXJMKICH-UHFFFAOYSA-N
XLogP3.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-ethyl-1-ethylsulfanyl-2,2-difluoropiperidine 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-ethyl-1-ethylsulfanyl-2,2-difluoropiperidine?
The IUPAC name of 4-ethyl-1-ethylsulfanyl-2,2-difluoropiperidine (CID 155034027) is 4-ethyl-1-ethylsulfanyl-2,2-difluoropiperidine.
What is the SMILES notation for 4-ethyl-1-ethylsulfanyl-2,2-difluoropiperidine?
The canonical SMILES for 4-ethyl-1-ethylsulfanyl-2,2-difluoropiperidine is CCSN1CCC(CC)CC1(F)F.
What is the InChIKey of 4-ethyl-1-ethylsulfanyl-2,2-difluoropiperidine?
The InChIKey is URZSQHTXJMKICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NS/c1-3-8-5-6-12(13-4-2)9(10,11)7-8/h8H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-1-ethylsulfanyl-2,2-difluoropiperidine?
4-ethyl-1-ethylsulfanyl-2,2-difluoropiperidine has a molecular weight of 209.30 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-ethylsulfanyl-2,2-difluoropiperidine is sourced from PubChem (CID 155034027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).