3-(4,4-difluorothiolan-3-yl)propan-1-amine

C7H13F2NS — CID 105439600

IUPAC3-(4,4-difluorothiolan-3-yl)propan-1-amine
SMILESNCCCC1CSCC1(F)F
InChIInChI=1S/C7H13F2NS/c8-7(9)5-11-4-6(7)2-1-3-10/h6H,1-5,10H2
InChIKeyIURIOAJXDMYOJY-UHFFFAOYSA-N
MW181.25 g/mol
LogP1.72
Rot. Bonds3

About 3-(4,4-difluorothiolan-3-yl)propan-1-amine

3-(4,4-difluorothiolan-3-yl)propan-1-amine (PubChem CID 105439600) has the molecular formula C7H13F2NS and a molecular weight of 181.25 g/mol. Its IUPAC name is 3-(4,4-difluorothiolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4,4-difluorothiolan-3-yl)propan-1-amine
PubChem CID105439600
Molecular FormulaC7H13F2NS
Molecular Weight181.25 g/mol
Exact Mass181.07
IUPAC Name3-(4,4-difluorothiolan-3-yl)propan-1-amine
SMILESNCCCC1CSCC1(F)F
InChIInChI=1S/C7H13F2NS/c8-7(9)5-11-4-6(7)2-1-3-10/h6H,1-5,10H2
InChIKeyIURIOAJXDMYOJY-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluorothiolan-3-yl)propan-1-amine?
The IUPAC name of 3-(4,4-difluorothiolan-3-yl)propan-1-amine (CID 105439600) is 3-(4,4-difluorothiolan-3-yl)propan-1-amine.
What is the SMILES notation for 3-(4,4-difluorothiolan-3-yl)propan-1-amine?
The canonical SMILES for 3-(4,4-difluorothiolan-3-yl)propan-1-amine is NCCCC1CSCC1(F)F.
What is the InChIKey of 3-(4,4-difluorothiolan-3-yl)propan-1-amine?
The InChIKey is IURIOAJXDMYOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NS/c8-7(9)5-11-4-6(7)2-1-3-10/h6H,1-5,10H2.
What are the key properties of 3-(4,4-difluorothiolan-3-yl)propan-1-amine?
3-(4,4-difluorothiolan-3-yl)propan-1-amine has a molecular weight of 181.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluorothiolan-3-yl)propan-1-amine is sourced from PubChem (CID 105439600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).