5-(trifluoromethyl)thiolan-3-amine

C5H8F3NS — CID 82412158

IUPAC5-(trifluoromethyl)thiolan-3-amine
SMILESNC1CSC(C(F)(F)F)C1
InChIInChI=1S/C5H8F3NS/c6-5(7,8)4-1-3(9)2-10-4/h3-4H,1-2,9H2
InChIKeyFMBZHJGKEYGRSP-UHFFFAOYSA-N
MW171.19 g/mol
LogP1.38
Rot. Bonds

About 5-(trifluoromethyl)thiolan-3-amine

5-(trifluoromethyl)thiolan-3-amine (PubChem CID 82412158) has the molecular formula C5H8F3NS and a molecular weight of 171.19 g/mol. Its IUPAC name is 5-(trifluoromethyl)thiolan-3-amine.

Molecular Properties

Compound Name5-(trifluoromethyl)thiolan-3-amine
PubChem CID82412158
Molecular FormulaC5H8F3NS
Molecular Weight171.19 g/mol
Exact Mass171.03
IUPAC Name5-(trifluoromethyl)thiolan-3-amine
SMILESNC1CSC(C(F)(F)F)C1
InChIInChI=1S/C5H8F3NS/c6-5(7,8)4-1-3(9)2-10-4/h3-4H,1-2,9H2
InChIKeyFMBZHJGKEYGRSP-UHFFFAOYSA-N
XLogP1.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)thiolan-3-amine?
The IUPAC name of 5-(trifluoromethyl)thiolan-3-amine (CID 82412158) is 5-(trifluoromethyl)thiolan-3-amine.
What is the SMILES notation for 5-(trifluoromethyl)thiolan-3-amine?
The canonical SMILES for 5-(trifluoromethyl)thiolan-3-amine is NC1CSC(C(F)(F)F)C1.
What is the InChIKey of 5-(trifluoromethyl)thiolan-3-amine?
The InChIKey is FMBZHJGKEYGRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NS/c6-5(7,8)4-1-3(9)2-10-4/h3-4H,1-2,9H2.
What are the key properties of 5-(trifluoromethyl)thiolan-3-amine?
5-(trifluoromethyl)thiolan-3-amine has a molecular weight of 171.19 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)thiolan-3-amine is sourced from PubChem (CID 82412158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).