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

C6H11F2NS — CID 84765253

IUPAC(3,3-difluorothian-4-yl)methanamine
SMILESNCC1CCSCC1(F)F
InChIInChI=1S/C6H11F2NS/c7-6(8)4-10-2-1-5(6)3-9/h5H,1-4,9H2
InChIKeyMYWUVJILLRDSGE-UHFFFAOYSA-N
MW167.22 g/mol
LogP1.33
Rot. Bonds1

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

(3,3-difluorothian-4-yl)methanamine (PubChem CID 84765253) has the molecular formula C6H11F2NS and a molecular weight of 167.22 g/mol. Its IUPAC name is (3,3-difluorothian-4-yl)methanamine.

Molecular Properties

Compound Name(3,3-difluorothian-4-yl)methanamine
PubChem CID84765253
Molecular FormulaC6H11F2NS
Molecular Weight167.22 g/mol
Exact Mass167.06
IUPAC Name(3,3-difluorothian-4-yl)methanamine
SMILESNCC1CCSCC1(F)F
InChIInChI=1S/C6H11F2NS/c7-6(8)4-10-2-1-5(6)3-9/h5H,1-4,9H2
InChIKeyMYWUVJILLRDSGE-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 (3,3-difluorothian-4-yl)methanamine?
The IUPAC name of (3,3-difluorothian-4-yl)methanamine (CID 84765253) is (3,3-difluorothian-4-yl)methanamine.
What is the SMILES notation for (3,3-difluorothian-4-yl)methanamine?
The canonical SMILES for (3,3-difluorothian-4-yl)methanamine is NCC1CCSCC1(F)F.
What is the InChIKey of (3,3-difluorothian-4-yl)methanamine?
The InChIKey is MYWUVJILLRDSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NS/c7-6(8)4-10-2-1-5(6)3-9/h5H,1-4,9H2.
What are the key properties of (3,3-difluorothian-4-yl)methanamine?
(3,3-difluorothian-4-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 (3,3-difluorothian-4-yl)methanamine is sourced from PubChem (CID 84765253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).