N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiolan-3-amine

C11H19F3N2S — CID 54927167

IUPACN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiolan-3-amine
SMILESFC(F)(F)CN1CCC(CNC2CCSC2)C1
InChIInChI=1S/C11H19F3N2S/c12-11(13,14)8-16-3-1-9(6-16)5-15-10-2-4-17-7-10/h9-10,15H,1-8H2
InChIKeyVJDXHSXINRBBFU-UHFFFAOYSA-N
MW268.35 g/mol
LogP1.97
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiolan-3-amine

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiolan-3-amine (PubChem CID 54927167) has the molecular formula C11H19F3N2S and a molecular weight of 268.35 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiolan-3-amine
PubChem CID54927167
Molecular FormulaC11H19F3N2S
Molecular Weight268.35 g/mol
Exact Mass268.12
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiolan-3-amine
SMILESFC(F)(F)CN1CCC(CNC2CCSC2)C1
InChIInChI=1S/C11H19F3N2S/c12-11(13,14)8-16-3-1-9(6-16)5-15-10-2-4-17-7-10/h9-10,15H,1-8H2
InChIKeyVJDXHSXINRBBFU-UHFFFAOYSA-N
XLogP1.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylsulfanyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 54927208
1,1-dioxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiolan-3-amine
CID 54927211
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-4-amine
CID 54927241
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-3-amine
CID 62870916
5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiolan-3-amine
CID 79941369
2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-3-amine
CID 79957129
N'-methyl-N'-(thiolan-3-yl)-2-(trifluoromethyl)propane-1,3-diamine
CID 103366135
3-ethylsulfanyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 104080151
N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-3-amine
CID 105456753
N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-2-amine
CID 105456754
2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 106429807
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 106429808

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiolan-3-amine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiolan-3-amine (CID 54927167) is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiolan-3-amine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiolan-3-amine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiolan-3-amine is FC(F)(F)CN1CCC(CNC2CCSC2)C1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiolan-3-amine?
The InChIKey is VJDXHSXINRBBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2S/c12-11(13,14)8-16-3-1-9(6-16)5-15-10-2-4-17-7-10/h9-10,15H,1-8H2.
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiolan-3-amine?
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiolan-3-amine has a molecular weight of 268.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiolan-3-amine is sourced from PubChem (CID 54927167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).