3,3-difluoro-3-(thian-3-yl)propan-1-amine

C8H15F2NS — CID 105449349

IUPAC3,3-difluoro-3-(thian-3-yl)propan-1-amine
SMILESNCCC(F)(F)C1CCCSC1
InChIInChI=1S/C8H15F2NS/c9-8(10,3-4-11)7-2-1-5-12-6-7/h7H,1-6,11H2
InChIKeyXGXAFAAJDKTGHN-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.11
Rot. Bonds3

About 3,3-difluoro-3-(thian-3-yl)propan-1-amine

3,3-difluoro-3-(thian-3-yl)propan-1-amine (PubChem CID 105449349) has the molecular formula C8H15F2NS and a molecular weight of 195.28 g/mol. Its IUPAC name is 3,3-difluoro-3-(thian-3-yl)propan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-3-(thian-3-yl)propan-1-amine
PubChem CID105449349
Molecular FormulaC8H15F2NS
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name3,3-difluoro-3-(thian-3-yl)propan-1-amine
SMILESNCCC(F)(F)C1CCCSC1
InChIInChI=1S/C8H15F2NS/c9-8(10,3-4-11)7-2-1-5-12-6-7/h7H,1-6,11H2
InChIKeyXGXAFAAJDKTGHN-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-difluoro-3-(thian-3-yl)propan-1-amine?
The IUPAC name of 3,3-difluoro-3-(thian-3-yl)propan-1-amine (CID 105449349) is 3,3-difluoro-3-(thian-3-yl)propan-1-amine.
What is the SMILES notation for 3,3-difluoro-3-(thian-3-yl)propan-1-amine?
The canonical SMILES for 3,3-difluoro-3-(thian-3-yl)propan-1-amine is NCCC(F)(F)C1CCCSC1.
What is the InChIKey of 3,3-difluoro-3-(thian-3-yl)propan-1-amine?
The InChIKey is XGXAFAAJDKTGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NS/c9-8(10,3-4-11)7-2-1-5-12-6-7/h7H,1-6,11H2.
What are the key properties of 3,3-difluoro-3-(thian-3-yl)propan-1-amine?
3,3-difluoro-3-(thian-3-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-difluoro-3-(thian-3-yl)propan-1-amine is sourced from PubChem (CID 105449349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).