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

C8H15F2NS — CID 105449347

IUPAC3-(3,3-difluorothian-4-yl)propan-1-amine
SMILESNCCCC1CCSCC1(F)F
InChIInChI=1S/C8H15F2NS/c9-8(10)6-12-5-3-7(8)2-1-4-11/h7H,1-6,11H2
InChIKeyUOYBJLGGLYPRHU-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.11
Rot. Bonds3

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

3-(3,3-difluorothian-4-yl)propan-1-amine (PubChem CID 105449347) has the molecular formula C8H15F2NS and a molecular weight of 195.28 g/mol. Its IUPAC name is 3-(3,3-difluorothian-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3,3-difluorothian-4-yl)propan-1-amine
PubChem CID105449347
Molecular FormulaC8H15F2NS
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name3-(3,3-difluorothian-4-yl)propan-1-amine
SMILESNCCCC1CCSCC1(F)F
InChIInChI=1S/C8H15F2NS/c9-8(10)6-12-5-3-7(8)2-1-4-11/h7H,1-6,11H2
InChIKeyUOYBJLGGLYPRHU-UHFFFAOYSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorothian-4-yl)propan-1-amine?
The IUPAC name of 3-(3,3-difluorothian-4-yl)propan-1-amine (CID 105449347) is 3-(3,3-difluorothian-4-yl)propan-1-amine.
What is the SMILES notation for 3-(3,3-difluorothian-4-yl)propan-1-amine?
The canonical SMILES for 3-(3,3-difluorothian-4-yl)propan-1-amine is NCCCC1CCSCC1(F)F.
What is the InChIKey of 3-(3,3-difluorothian-4-yl)propan-1-amine?
The InChIKey is UOYBJLGGLYPRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NS/c9-8(10)6-12-5-3-7(8)2-1-4-11/h7H,1-6,11H2.
What are the key properties of 3-(3,3-difluorothian-4-yl)propan-1-amine?
3-(3,3-difluorothian-4-yl)propan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorothian-4-yl)propan-1-amine is sourced from PubChem (CID 105449347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).