2,2-difluoro-3-(thiolan-3-ylamino)propan-1-ol

C7H13F2NOS — CID 104860568

IUPAC2,2-difluoro-3-(thiolan-3-ylamino)propan-1-ol
SMILESOCC(F)(F)CNC1CCSC1
InChIInChI=1S/C7H13F2NOS/c8-7(9,5-11)4-10-6-1-2-12-3-6/h6,10-11H,1-5H2
InChIKeyMTROKYKKNVWLQL-UHFFFAOYSA-N
MW197.25 g/mol
LogP0.71
Rot. Bonds4

About 2,2-difluoro-3-(thiolan-3-ylamino)propan-1-ol

2,2-difluoro-3-(thiolan-3-ylamino)propan-1-ol (PubChem CID 104860568) has the molecular formula C7H13F2NOS and a molecular weight of 197.25 g/mol. Its IUPAC name is 2,2-difluoro-3-(thiolan-3-ylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(thiolan-3-ylamino)propan-1-ol
PubChem CID104860568
Molecular FormulaC7H13F2NOS
Molecular Weight197.25 g/mol
Exact Mass197.07
IUPAC Name2,2-difluoro-3-(thiolan-3-ylamino)propan-1-ol
SMILESOCC(F)(F)CNC1CCSC1
InChIInChI=1S/C7H13F2NOS/c8-7(9,5-11)4-10-6-1-2-12-3-6/h6,10-11H,1-5H2
InChIKeyMTROKYKKNVWLQL-UHFFFAOYSA-N
XLogP0.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-difluoro-3-(thiolan-3-ylamino)propan-1-ol 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 2,2-difluoro-3-(thiolan-3-ylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(thiolan-3-ylamino)propan-1-ol (CID 104860568) is 2,2-difluoro-3-(thiolan-3-ylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(thiolan-3-ylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(thiolan-3-ylamino)propan-1-ol is OCC(F)(F)CNC1CCSC1.
What is the InChIKey of 2,2-difluoro-3-(thiolan-3-ylamino)propan-1-ol?
The InChIKey is MTROKYKKNVWLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NOS/c8-7(9,5-11)4-10-6-1-2-12-3-6/h6,10-11H,1-5H2.
What are the key properties of 2,2-difluoro-3-(thiolan-3-ylamino)propan-1-ol?
2,2-difluoro-3-(thiolan-3-ylamino)propan-1-ol has a molecular weight of 197.25 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(thiolan-3-ylamino)propan-1-ol is sourced from PubChem (CID 104860568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).