N-(2,2,2-trifluoroethyl)thiolan-3-amine

C6H10F3NS — CID 24705029

IUPACN-(2,2,2-trifluoroethyl)thiolan-3-amine
SMILESFC(F)(F)CNC1CCSC1
InChIInChI=1S/C6H10F3NS/c7-6(8,9)4-10-5-1-2-11-3-5/h5,10H,1-4H2
InChIKeyMWDNNYXIGPABFM-UHFFFAOYSA-N
MW185.21 g/mol
LogP1.64
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)thiolan-3-amine

N-(2,2,2-trifluoroethyl)thiolan-3-amine (PubChem CID 24705029) has the molecular formula C6H10F3NS and a molecular weight of 185.21 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)thiolan-3-amine
PubChem CID24705029
Molecular FormulaC6H10F3NS
Molecular Weight185.21 g/mol
Exact Mass185.05
IUPAC NameN-(2,2,2-trifluoroethyl)thiolan-3-amine
SMILESFC(F)(F)CNC1CCSC1
InChIInChI=1S/C6H10F3NS/c7-6(8,9)4-10-5-1-2-11-3-5/h5,10H,1-4H2
InChIKeyMWDNNYXIGPABFM-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)thiolan-3-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)thiolan-3-amine (CID 24705029) is N-(2,2,2-trifluoroethyl)thiolan-3-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)thiolan-3-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)thiolan-3-amine is FC(F)(F)CNC1CCSC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)thiolan-3-amine?
The InChIKey is MWDNNYXIGPABFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NS/c7-6(8,9)4-10-5-1-2-11-3-5/h5,10H,1-4H2.
What are the key properties of N-(2,2,2-trifluoroethyl)thiolan-3-amine?
N-(2,2,2-trifluoroethyl)thiolan-3-amine has a molecular weight of 185.21 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)thiolan-3-amine is sourced from PubChem (CID 24705029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).