1-(3,5-dimethylthiolan-2-yl)-2,2,2-trifluoroethanamine

C8H14F3NS — CID 163576724

IUPAC1-(3,5-dimethylthiolan-2-yl)-2,2,2-trifluoroethanamine
SMILESCC1CC(C)C(C(N)C(F)(F)F)S1
InChIInChI=1S/C8H14F3NS/c1-4-3-5(2)13-6(4)7(12)8(9,10)11/h4-7H,3,12H2,1-2H3
InChIKeyGEDNYIIEBCTFOU-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.41
Rot. Bonds1

About 1-(3,5-dimethylthiolan-2-yl)-2,2,2-trifluoroethanamine

1-(3,5-dimethylthiolan-2-yl)-2,2,2-trifluoroethanamine (PubChem CID 163576724) has the molecular formula C8H14F3NS and a molecular weight of 213.27 g/mol. Its IUPAC name is 1-(3,5-dimethylthiolan-2-yl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylthiolan-2-yl)-2,2,2-trifluoroethanamine
PubChem CID163576724
Molecular FormulaC8H14F3NS
Molecular Weight213.27 g/mol
Exact Mass213.08
IUPAC Name1-(3,5-dimethylthiolan-2-yl)-2,2,2-trifluoroethanamine
SMILESCC1CC(C)C(C(N)C(F)(F)F)S1
InChIInChI=1S/C8H14F3NS/c1-4-3-5(2)13-6(4)7(12)8(9,10)11/h4-7H,3,12H2,1-2H3
InChIKeyGEDNYIIEBCTFOU-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylthiolan-2-yl)-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(3,5-dimethylthiolan-2-yl)-2,2,2-trifluoroethanamine (CID 163576724) is 1-(3,5-dimethylthiolan-2-yl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(3,5-dimethylthiolan-2-yl)-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(3,5-dimethylthiolan-2-yl)-2,2,2-trifluoroethanamine is CC1CC(C)C(C(N)C(F)(F)F)S1.
What is the InChIKey of 1-(3,5-dimethylthiolan-2-yl)-2,2,2-trifluoroethanamine?
The InChIKey is GEDNYIIEBCTFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NS/c1-4-3-5(2)13-6(4)7(12)8(9,10)11/h4-7H,3,12H2,1-2H3.
What are the key properties of 1-(3,5-dimethylthiolan-2-yl)-2,2,2-trifluoroethanamine?
1-(3,5-dimethylthiolan-2-yl)-2,2,2-trifluoroethanamine has a molecular weight of 213.27 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylthiolan-2-yl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 163576724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).