5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-amine

C9H16F3NS — CID 105174427

IUPAC5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-amine
SMILESNC(CCCC(F)(F)F)C1CCSC1
InChIInChI=1S/C9H16F3NS/c10-9(11,12)4-1-2-8(13)7-3-5-14-6-7/h7-8H,1-6,13H2
InChIKeyXQBONRXSOJICOB-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.80
Rot. Bonds4

About 5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-amine

5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-amine (PubChem CID 105174427) has the molecular formula C9H16F3NS and a molecular weight of 227.29 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-amine
PubChem CID105174427
Molecular FormulaC9H16F3NS
Molecular Weight227.29 g/mol
Exact Mass227.10
IUPAC Name5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-amine
SMILESNC(CCCC(F)(F)F)C1CCSC1
InChIInChI=1S/C9H16F3NS/c10-9(11,12)4-1-2-8(13)7-3-5-14-6-7/h7-8H,1-6,13H2
InChIKeyXQBONRXSOJICOB-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-Dimethylthiolan-2-yl)-2,2,2-trifluoroethanamine
CID 163576724
[(4S)-3,4-dimethyl-5-(2,2,2-trifluoroethyl)thiolan-2-yl]methanamine
CID 173844600
4,4,4-Trifluoro-1-(thiolan-2-yl)butan-1-amine
CID 80621890
N-ethyl-4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-amine
CID 105156297
1-(1,1-Dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-amine
CID 105156314
4,4,4-Trifluoro-1-(2-methylthiolan-2-yl)butan-1-amine
CID 105156346
5,5,5-Trifluoro-1-(thian-4-yl)pentan-2-amine
CID 105156348
4,4,4-trifluoro-N-methyl-1-(2-methylthiolan-2-yl)butan-1-amine
CID 105156418
4,4,4-Trifluoro-1-(thiolan-3-yl)butan-1-amine
CID 105156443
4,4,4-trifluoro-1-(2-methylthiolan-2-yl)-N-propylbutan-1-amine
CID 105156482
N-ethyl-5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-amine
CID 105174283
5,5,5-Trifluoro-1-(2-methylthiolan-2-yl)pentan-1-amine
CID 105174337

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-amine (CID 105174427) is 5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-amine is NC(CCCC(F)(F)F)C1CCSC1.
What is the InChIKey of 5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-amine?
The InChIKey is XQBONRXSOJICOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NS/c10-9(11,12)4-1-2-8(13)7-3-5-14-6-7/h7-8H,1-6,13H2.
What are the key properties of 5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-amine?
5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-amine has a molecular weight of 227.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-amine is sourced from PubChem (CID 105174427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).