3,3,3-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)propane-1,2-diamine

C8H15F3N2S — CID 43752712

IUPAC3,3,3-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)propane-1,2-diamine
SMILESCN(C1CCSC1)C(CN)C(F)(F)F
InChIInChI=1S/C8H15F3N2S/c1-13(6-2-3-14-5-6)7(4-12)8(9,10)11/h6-7H,2-5,12H2,1H3
InChIKeyHHNKDJQROKMCTF-UHFFFAOYSA-N
MW228.28 g/mol
LogP1.31
Rot. Bonds3

About 3,3,3-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)propane-1,2-diamine

3,3,3-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)propane-1,2-diamine (PubChem CID 43752712) has the molecular formula C8H15F3N2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)propane-1,2-diamine
PubChem CID43752712
Molecular FormulaC8H15F3N2S
Molecular Weight228.28 g/mol
Exact Mass228.09
IUPAC Name3,3,3-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)propane-1,2-diamine
SMILESCN(C1CCSC1)C(CN)C(F)(F)F
InChIInChI=1S/C8H15F3N2S/c1-13(6-2-3-14-5-6)7(4-12)8(9,10)11/h6-7H,2-5,12H2,1H3
InChIKeyHHNKDJQROKMCTF-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine
CID 43752768
4,4,4-trifluoro-3-N-methyl-3-N-(thiolan-3-yl)butane-1,3-diamine
CID 43753139
3,3,3-Trifluoro-2-(1,4-thiazepan-4-yl)propan-1-amine
CID 61418523
4,4,4-Trifluoro-3-(1,4-thiazepan-4-yl)butan-2-amine
CID 61647812
1,1,1-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)butane-2,3-diamine
CID 61647856
1,1,1-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)pentane-2,3-diamine
CID 61647857
4,4,4-Trifluoro-3-thiomorpholin-4-ylbutan-2-amine
CID 61647909
N'-methyl-N'-(thiolan-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62559627
2-(1,4-thiazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62568030
2-N-methyl-2-N-(thiolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62568969
3-N-ethyl-1,1-dioxo-3-N-(2,2,2-trifluoroethyl)thiolane-3,4-diamine
CID 62692315
3,3,3-Trifluoro-2-(3-methylthiomorpholin-4-yl)propan-1-amine
CID 64039914

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)propane-1,2-diamine?
The IUPAC name of 3,3,3-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)propane-1,2-diamine (CID 43752712) is 3,3,3-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)propane-1,2-diamine.
What is the SMILES notation for 3,3,3-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)propane-1,2-diamine?
The canonical SMILES for 3,3,3-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)propane-1,2-diamine is CN(C1CCSC1)C(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)propane-1,2-diamine?
The InChIKey is HHNKDJQROKMCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2S/c1-13(6-2-3-14-5-6)7(4-12)8(9,10)11/h6-7H,2-5,12H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)propane-1,2-diamine?
3,3,3-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)propane-1,2-diamine has a molecular weight of 228.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)propane-1,2-diamine is sourced from PubChem (CID 43752712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).