(4,4-difluorothian-3-yl)methanamine

C6H11F2NS — CID 84765254

IUPAC(4,4-difluorothian-3-yl)methanamine
SMILESNCC1CSCCC1(F)F
InChIInChI=1S/C6H11F2NS/c7-6(8)1-2-10-4-5(6)3-9/h5H,1-4,9H2
InChIKeyZOADTXFVNLMMJN-UHFFFAOYSA-N
MW167.22 g/mol
LogP1.33
Rot. Bonds1

About (4,4-difluorothian-3-yl)methanamine

(4,4-difluorothian-3-yl)methanamine (PubChem CID 84765254) has the molecular formula C6H11F2NS and a molecular weight of 167.22 g/mol. Its IUPAC name is (4,4-difluorothian-3-yl)methanamine.

Molecular Properties

Compound Name(4,4-difluorothian-3-yl)methanamine
PubChem CID84765254
Molecular FormulaC6H11F2NS
Molecular Weight167.22 g/mol
Exact Mass167.06
IUPAC Name(4,4-difluorothian-3-yl)methanamine
SMILESNCC1CSCCC1(F)F
InChIInChI=1S/C6H11F2NS/c7-6(8)1-2-10-4-5(6)3-9/h5H,1-4,9H2
InChIKeyZOADTXFVNLMMJN-UHFFFAOYSA-N
XLogP1.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorothian-3-yl)methanamine?
The IUPAC name of (4,4-difluorothian-3-yl)methanamine (CID 84765254) is (4,4-difluorothian-3-yl)methanamine.
What is the SMILES notation for (4,4-difluorothian-3-yl)methanamine?
The canonical SMILES for (4,4-difluorothian-3-yl)methanamine is NCC1CSCCC1(F)F.
What is the InChIKey of (4,4-difluorothian-3-yl)methanamine?
The InChIKey is ZOADTXFVNLMMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NS/c7-6(8)1-2-10-4-5(6)3-9/h5H,1-4,9H2.
What are the key properties of (4,4-difluorothian-3-yl)methanamine?
(4,4-difluorothian-3-yl)methanamine has a molecular weight of 167.22 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorothian-3-yl)methanamine is sourced from PubChem (CID 84765254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).