1-N-propyl-1-thiophen-2-yl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C12H19F3N2S — CID 55021776

IUPAC1-N-propyl-1-thiophen-2-yl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCCN(CC(F)(F)F)C(c1cccs1)C(C)N
InChIInChI=1S/C12H19F3N2S/c1-3-6-17(8-12(13,14)15)11(9(2)16)10-5-4-7-18-10/h4-5,7,9,11H,3,6,8,16H2,1-2H3
InChIKeyWASUBECRQRBZIY-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.41
Rot. Bonds6

About 1-N-propyl-1-thiophen-2-yl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

1-N-propyl-1-thiophen-2-yl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 55021776) has the molecular formula C12H19F3N2S and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-N-propyl-1-thiophen-2-yl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-propyl-1-thiophen-2-yl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID55021776
Molecular FormulaC12H19F3N2S
Molecular Weight280.36 g/mol
Exact Mass280.12
IUPAC Name1-N-propyl-1-thiophen-2-yl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCCN(CC(F)(F)F)C(c1cccs1)C(C)N
InChIInChI=1S/C12H19F3N2S/c1-3-6-17(8-12(13,14)15)11(9(2)16)10-5-4-7-18-10/h4-5,7,9,11H,3,6,8,16H2,1-2H3
InChIKeyWASUBECRQRBZIY-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(cyclopropylmethyl)-1-N-propyl-1-thiophen-2-ylpropane-1,2-diamine
CID 55021714
1-N,1-N-bis(2-methoxyethyl)-1-thiophen-2-ylpropane-1,2-diamine
CID 55021667
N'-ethyl-1-thiophen-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115287788
1-N-(3,3-dimethylbutan-2-yl)-1-N-methyl-1-thiophen-2-ylpropane-1,2-diamine
CID 55021630
2-amino-N-ethyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 113279196
2-[(2-amino-1-thiophen-2-ylbutyl)-butylamino]ethanol
CID 55022203
1-(4-fluorophenyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 107520567
1-phenyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 55017641
N'-methyl-N-(1-thiophen-2-ylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62561217
2-methyl-N-(piperidin-4-ylmethyl)-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 79715760
2,2-difluoro-1-thiophen-2-ylpropan-1-amine
CID 131209587
2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylethanone
CID 55010317

Frequently Asked Questions

What is the IUPAC name of 1-N-propyl-1-thiophen-2-yl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 1-N-propyl-1-thiophen-2-yl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 55021776) is 1-N-propyl-1-thiophen-2-yl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-propyl-1-thiophen-2-yl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-propyl-1-thiophen-2-yl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is CCCN(CC(F)(F)F)C(c1cccs1)C(C)N.
What is the InChIKey of 1-N-propyl-1-thiophen-2-yl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is WASUBECRQRBZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2S/c1-3-6-17(8-12(13,14)15)11(9(2)16)10-5-4-7-18-10/h4-5,7,9,11H,3,6,8,16H2,1-2H3.
What are the key properties of 1-N-propyl-1-thiophen-2-yl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
1-N-propyl-1-thiophen-2-yl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 280.36 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-propyl-1-thiophen-2-yl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 55021776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).