2,2-difluoro-3-(thiolan-2-yl)propan-1-amine

C7H13F2NS — CID 105439606

IUPAC2,2-difluoro-3-(thiolan-2-yl)propan-1-amine
SMILESNCC(F)(F)CC1CCCS1
InChIInChI=1S/C7H13F2NS/c8-7(9,5-10)4-6-2-1-3-11-6/h6H,1-5,10H2
InChIKeyJUXSAHTUBYZCAA-UHFFFAOYSA-N
MW181.25 g/mol
LogP1.87
Rot. Bonds3

About 2,2-difluoro-3-(thiolan-2-yl)propan-1-amine

2,2-difluoro-3-(thiolan-2-yl)propan-1-amine (PubChem CID 105439606) has the molecular formula C7H13F2NS and a molecular weight of 181.25 g/mol. Its IUPAC name is 2,2-difluoro-3-(thiolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-(thiolan-2-yl)propan-1-amine
PubChem CID105439606
Molecular FormulaC7H13F2NS
Molecular Weight181.25 g/mol
Exact Mass181.07
IUPAC Name2,2-difluoro-3-(thiolan-2-yl)propan-1-amine
SMILESNCC(F)(F)CC1CCCS1
InChIInChI=1S/C7H13F2NS/c8-7(9,5-10)4-6-2-1-3-11-6/h6H,1-5,10H2
InChIKeyJUXSAHTUBYZCAA-UHFFFAOYSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(thiolan-2-yl)propan-1-amine?
The IUPAC name of 2,2-difluoro-3-(thiolan-2-yl)propan-1-amine (CID 105439606) is 2,2-difluoro-3-(thiolan-2-yl)propan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-(thiolan-2-yl)propan-1-amine?
The canonical SMILES for 2,2-difluoro-3-(thiolan-2-yl)propan-1-amine is NCC(F)(F)CC1CCCS1.
What is the InChIKey of 2,2-difluoro-3-(thiolan-2-yl)propan-1-amine?
The InChIKey is JUXSAHTUBYZCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NS/c8-7(9,5-10)4-6-2-1-3-11-6/h6H,1-5,10H2.
What are the key properties of 2,2-difluoro-3-(thiolan-2-yl)propan-1-amine?
2,2-difluoro-3-(thiolan-2-yl)propan-1-amine has a molecular weight of 181.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(thiolan-2-yl)propan-1-amine is sourced from PubChem (CID 105439606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).