1-(thiolan-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C8H15F3N2S — CID 107132801

IUPAC1-(thiolan-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCC(NCC(F)(F)F)C1CCSC1
InChIInChI=1S/C8H15F3N2S/c9-8(10,11)5-13-7(3-12)6-1-2-14-4-6/h6-7,13H,1-5,12H2
InChIKeyMVTZUZKCXUHMNJ-UHFFFAOYSA-N
MW228.28 g/mol
LogP1.22
Rot. Bonds4

About 1-(thiolan-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

1-(thiolan-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107132801) has the molecular formula C8H15F3N2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 1-(thiolan-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(thiolan-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107132801
Molecular FormulaC8H15F3N2S
Molecular Weight228.28 g/mol
Exact Mass228.09
IUPAC Name1-(thiolan-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCC(NCC(F)(F)F)C1CCSC1
InChIInChI=1S/C8H15F3N2S/c9-8(10,11)5-13-7(3-12)6-1-2-14-4-6/h6-7,13H,1-5,12H2
InChIKeyMVTZUZKCXUHMNJ-UHFFFAOYSA-N
XLogP1.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(5,5,5-trifluoro-4-methylpentyl)sulfanylmethyl]pyrrolidine
CID 140997839
3-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 65378023
3-(aminomethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 79950713
N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
CID 106427041
5,5,5-trifluoro-N-(thiolan-3-ylmethyl)pentan-1-amine
CID 107132323
2-(Thiolan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 107132585
N-(2,2-difluoroethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132839
2-(Thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile
CID 107132966
6,6,6-trifluoro-N-(thiolan-3-ylmethyl)hexan-2-amine
CID 107166942
1,1-difluoro-N-(thiolan-3-ylmethyl)propan-2-amine
CID 107295327
3-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 108424285
3-(aminomethyl)-N-(2,2-difluoroethyl)-2-methylthiolan-3-amine
CID 108424318

Frequently Asked Questions

What is the IUPAC name of 1-(thiolan-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of 1-(thiolan-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107132801) is 1-(thiolan-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(thiolan-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(thiolan-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is NCC(NCC(F)(F)F)C1CCSC1.
What is the InChIKey of 1-(thiolan-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is MVTZUZKCXUHMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2S/c9-8(10,11)5-13-7(3-12)6-1-2-14-4-6/h6-7,13H,1-5,12H2.
What are the key properties of 1-(thiolan-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
1-(thiolan-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 228.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiolan-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107132801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).