5,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)thian-3-amine

C10H17F4NS — CID 106289846

IUPAC5,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)thian-3-amine
SMILESCC1(C)CSCC(NCC(F)(F)C(F)F)C1
InChIInChI=1S/C10H17F4NS/c1-9(2)3-7(4-16-6-9)15-5-10(13,14)8(11)12/h7-8,15H,3-6H2,1-2H3
InChIKeyDECSLIQCMYNBJQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.01
Rot. Bonds4

About 5,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)thian-3-amine

5,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)thian-3-amine (PubChem CID 106289846) has the molecular formula C10H17F4NS and a molecular weight of 259.31 g/mol. Its IUPAC name is 5,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)thian-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)thian-3-amine
PubChem CID106289846
Molecular FormulaC10H17F4NS
Molecular Weight259.31 g/mol
Exact Mass259.10
IUPAC Name5,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)thian-3-amine
SMILESCC1(C)CSCC(NCC(F)(F)C(F)F)C1
InChIInChI=1S/C10H17F4NS/c1-9(2)3-7(4-16-6-9)15-5-10(13,14)8(11)12/h7-8,15H,3-6H2,1-2H3
InChIKeyDECSLIQCMYNBJQ-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)thian-3-amine?
The IUPAC name of 5,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)thian-3-amine (CID 106289846) is 5,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)thian-3-amine.
What is the SMILES notation for 5,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)thian-3-amine?
The canonical SMILES for 5,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)thian-3-amine is CC1(C)CSCC(NCC(F)(F)C(F)F)C1.
What is the InChIKey of 5,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)thian-3-amine?
The InChIKey is DECSLIQCMYNBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F4NS/c1-9(2)3-7(4-16-6-9)15-5-10(13,14)8(11)12/h7-8,15H,3-6H2,1-2H3.
What are the key properties of 5,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)thian-3-amine?
5,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)thian-3-amine has a molecular weight of 259.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)thian-3-amine is sourced from PubChem (CID 106289846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).