1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine

C9H12F3NOS — CID 82710634

IUPAC1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCC(NOCC(F)(F)F)c1cccs1
InChIInChI=1S/C9H12F3NOS/c1-2-7(8-4-3-5-15-8)13-14-6-9(10,11)12/h3-5,7,13H,2,6H2,1H3
InChIKeyNELDJEZFTLFDEX-UHFFFAOYSA-N
MW239.26 g/mol
LogP3.28
Rot. Bonds5

About 1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine

1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 82710634) has the molecular formula C9H12F3NOS and a molecular weight of 239.26 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID82710634
Molecular FormulaC9H12F3NOS
Molecular Weight239.26 g/mol
Exact Mass239.06
IUPAC Name1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCC(NOCC(F)(F)F)c1cccs1
InChIInChI=1S/C9H12F3NOS/c1-2-7(8-4-3-5-15-8)13-14-6-9(10,11)12/h3-5,7,13H,2,6H2,1H3
InChIKeyNELDJEZFTLFDEX-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-thiophen-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 54964719
N-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline
CID 43103908
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-thiophen-2-ylpropan-1-amine
CID 119110315
2-fluoro-N-(1-thiophen-2-ylpropyl)-5-(trifluoromethyl)aniline
CID 63462752
N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 43689182
N-(1-thiophen-2-ylpropyl)ethanesulfonamide
CID 47372817
1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)methanamine
CID 82711207
1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine
CID 112632384
N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43201345
2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol
CID 65107804
5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine
CID 115324978
2,6-dimethyl-N-(1-thiophen-2-ylpropyl)heptan-4-amine
CID 63456212

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine (CID 82710634) is 1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine is CCC(NOCC(F)(F)F)c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is NELDJEZFTLFDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NOS/c1-2-7(8-4-3-5-15-8)13-14-6-9(10,11)12/h3-5,7,13H,2,6H2,1H3.
What are the key properties of 1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine?
1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 239.26 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 82710634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).