4,4,4-trifluoro-N-methyl-1-(thiolan-2-yl)butan-1-amine

C9H16F3NS — CID 80622837

IUPAC4,4,4-trifluoro-N-methyl-1-(thiolan-2-yl)butan-1-amine
SMILESCNC(CCC(F)(F)F)C1CCCS1
InChIInChI=1S/C9H16F3NS/c1-13-7(4-5-9(10,11)12)8-3-2-6-14-8/h7-8,13H,2-6H2,1H3
InChIKeySUZYETFTCFBLAT-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.81
Rot. Bonds4

About 4,4,4-trifluoro-N-methyl-1-(thiolan-2-yl)butan-1-amine

4,4,4-trifluoro-N-methyl-1-(thiolan-2-yl)butan-1-amine (PubChem CID 80622837) has the molecular formula C9H16F3NS and a molecular weight of 227.29 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-1-(thiolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-1-(thiolan-2-yl)butan-1-amine
PubChem CID80622837
Molecular FormulaC9H16F3NS
Molecular Weight227.29 g/mol
Exact Mass227.10
IUPAC Name4,4,4-trifluoro-N-methyl-1-(thiolan-2-yl)butan-1-amine
SMILESCNC(CCC(F)(F)F)C1CCCS1
InChIInChI=1S/C9H16F3NS/c1-13-7(4-5-9(10,11)12)8-3-2-6-14-8/h7-8,13H,2-6H2,1H3
InChIKeySUZYETFTCFBLAT-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4,4-trifluoro-N-methyl-1-(thiolan-2-yl)butan-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

(7R,9R)-9-nonyl-7-(trifluoromethyl)-1,4-dithia-8-azaspiro[4.5]decane
CID 16080242
2-(4,4,5,5,5-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 17909984
(2R)-2-(4,4,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine
CID 54181494
(2S)-2-(4,4,5,5,5-pentafluoropentylthiomethyl)-pyrrolidine
CID 57069197
2-(1,1,5,5,5-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 70118341
N-methyl-9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonan-1-amine;hydrochloride
CID 87719546
N-methyl-9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonan-1-amine
CID 87719547
2-(1,1,2,2,3-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 88154973
2-(2,3,4,5,5-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 88154974
7,7,8,8,8-pentafluoro-N-methyl-4-[7,7,8,8,8-pentafluoro-1-(methylamino)octan-4-yl]sulfanyloctan-1-amine
CID 88226836
N-(2-fluoroethyl)-5-[methyl(methylidene)-lambda4-sulfanyl]octan-2-amine
CID 123423742
2,4-Dimethyl-5-[2-(2,2,2-trifluoroethyl)pentyl]-1,3-thiazolidine
CID 143806352

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methyl-1-(thiolan-2-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-methyl-1-(thiolan-2-yl)butan-1-amine (CID 80622837) is 4,4,4-trifluoro-N-methyl-1-(thiolan-2-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-1-(thiolan-2-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-1-(thiolan-2-yl)butan-1-amine is CNC(CCC(F)(F)F)C1CCCS1.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-1-(thiolan-2-yl)butan-1-amine?
The InChIKey is SUZYETFTCFBLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NS/c1-13-7(4-5-9(10,11)12)8-3-2-6-14-8/h7-8,13H,2-6H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-1-(thiolan-2-yl)butan-1-amine?
4,4,4-trifluoro-N-methyl-1-(thiolan-2-yl)butan-1-amine has a molecular weight of 227.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-methyl-1-(thiolan-2-yl)butan-1-amine is sourced from PubChem (CID 80622837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).