1-(2,2,2-trifluoroethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine

C10H16F6N2S — CID 103778077

IUPAC1-(2,2,2-trifluoroethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCCSC(F)(F)F)CC1
InChIInChI=1S/C10H16F6N2S/c11-9(12,13)7-18-4-1-8(2-5-18)17-3-6-19-10(14,15)16/h8,17H,1-7H2
InChIKeyPLCDJPQRUFNFDU-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.86
Rot. Bonds5

About 1-(2,2,2-trifluoroethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine

1-(2,2,2-trifluoroethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine (PubChem CID 103778077) has the molecular formula C10H16F6N2S and a molecular weight of 310.31 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
PubChem CID103778077
Molecular FormulaC10H16F6N2S
Molecular Weight310.31 g/mol
Exact Mass310.09
IUPAC Name1-(2,2,2-trifluoroethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCCSC(F)(F)F)CC1
InChIInChI=1S/C10H16F6N2S/c11-9(12,13)7-18-4-1-8(2-5-18)17-3-6-19-10(14,15)16/h8,17H,1-7H2
InChIKeyPLCDJPQRUFNFDU-UHFFFAOYSA-N
XLogP2.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2,2,2-trifluoroethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-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

5,5,5-Trifluoro-4-(piperidin-4-ylamino)pentane-2-thiol
CID 124033211
1-[4-(2,2,2-Trifluoroethylamino)piperidin-1-yl]ethanethiol
CID 138626116
2-[[1-(2,2-Difluoroethyl)piperidin-4-yl]amino]ethanethiol
CID 144503704
1-[(4S)-3,3-difluoro-4-(methylamino)piperidin-1-yl]ethanethiol
CID 156418561
(4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine
CID 166682652
1-butylsulfanyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 170623102
Ethane;3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine
CID 176942308
3-Fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine;propane
CID 176943216
1-Methyl-N-[3-(methylsulfanyl)propyl]piperidin-4-amine
CID 43216125
4,4,4-Trifluoro-3-thiomorpholin-4-ylbutan-1-amine
CID 43753140
1-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 63226518
N-(2-methylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63980758

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine (CID 103778077) is 1-(2,2,2-trifluoroethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine is FC(F)(F)CN1CCC(NCCSC(F)(F)F)CC1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
The InChIKey is PLCDJPQRUFNFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6N2S/c11-9(12,13)7-18-4-1-8(2-5-18)17-3-6-19-10(14,15)16/h8,17H,1-7H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
1-(2,2,2-trifluoroethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine has a molecular weight of 310.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 103778077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).