3-[(3-aminothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol

C8H12F2N2OS — CID 106173044

IUPAC3-[(3-aminothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESNc1ccsc1CNCC(F)(F)CO
InChIInChI=1S/C8H12F2N2OS/c9-8(10,5-13)4-12-3-7-6(11)1-2-14-7/h1-2,12-13H,3-5,11H2
InChIKeyDSALKNYXFGCSIA-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.05
Rot. Bonds5

About 3-[(3-aminothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol

3-[(3-aminothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol (PubChem CID 106173044) has the molecular formula C8H12F2N2OS and a molecular weight of 222.26 g/mol. Its IUPAC name is 3-[(3-aminothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(3-aminothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol
PubChem CID106173044
Molecular FormulaC8H12F2N2OS
Molecular Weight222.26 g/mol
Exact Mass222.06
IUPAC Name3-[(3-aminothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESNc1ccsc1CNCC(F)(F)CO
InChIInChI=1S/C8H12F2N2OS/c9-8(10,5-13)4-12-3-7-6(11)1-2-14-7/h1-2,12-13H,3-5,11H2
InChIKeyDSALKNYXFGCSIA-UHFFFAOYSA-N
XLogP1.05
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(3-aminothiophen-2-yl)methylamino]-2,2-difluoropropan-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 3-[(3-aminothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(3-aminothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol (CID 106173044) is 3-[(3-aminothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(3-aminothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(3-aminothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol is Nc1ccsc1CNCC(F)(F)CO.
What is the InChIKey of 3-[(3-aminothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol?
The InChIKey is DSALKNYXFGCSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2OS/c9-8(10,5-13)4-12-3-7-6(11)1-2-14-7/h1-2,12-13H,3-5,11H2.
What are the key properties of 3-[(3-aminothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol?
3-[(3-aminothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol has a molecular weight of 222.26 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106173044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).