2-[(2,2,2-trifluoroethoxyamino)methyl]thiophen-3-amine

C7H9F3N2OS — CID 82711604

IUPAC2-[(2,2,2-trifluoroethoxyamino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNOCC(F)(F)F
InChIInChI=1S/C7H9F3N2OS/c8-7(9,10)4-13-12-3-6-5(11)1-2-14-6/h1-2,12H,3-4,11H2
InChIKeyGFQLWEDAZQXDCM-UHFFFAOYSA-N
MW226.22 g/mol
LogP1.91
Rot. Bonds4

About 2-[(2,2,2-trifluoroethoxyamino)methyl]thiophen-3-amine

2-[(2,2,2-trifluoroethoxyamino)methyl]thiophen-3-amine (PubChem CID 82711604) has the molecular formula C7H9F3N2OS and a molecular weight of 226.22 g/mol. Its IUPAC name is 2-[(2,2,2-trifluoroethoxyamino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(2,2,2-trifluoroethoxyamino)methyl]thiophen-3-amine
PubChem CID82711604
Molecular FormulaC7H9F3N2OS
Molecular Weight226.22 g/mol
Exact Mass226.04
IUPAC Name2-[(2,2,2-trifluoroethoxyamino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNOCC(F)(F)F
InChIInChI=1S/C7H9F3N2OS/c8-7(9,10)4-13-12-3-6-5(11)1-2-14-6/h1-2,12H,3-4,11H2
InChIKeyGFQLWEDAZQXDCM-UHFFFAOYSA-N
XLogP1.91
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,2,2-Trifluoroethylamino)methyl]thiophen-3-amine
CID 66385889
2-[(3,3,3-Trifluoropropylamino)methyl]thiophen-3-amine
CID 66386408
2-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]thiophen-3-amine
CID 66386411
1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)methanamine
CID 82711207
N-[2-[(2,2,2-trifluoroethoxyamino)methyl]thiophen-3-yl]acetamide
CID 82712398
2-[[2-(2,2-Difluoroethoxy)ethylamino]methyl]thiophen-3-amine
CID 105906081
3-[(3-Aminothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol
CID 106173044
2-[(2,2-Difluoroethylamino)methyl]thiophen-3-amine
CID 115406063
2-[(4,4,4-Trifluorobutylamino)methyl]thiophen-3-amine
CID 115516561
2-[(5,5,5-Trifluoropentylamino)methyl]thiophen-3-amine
CID 115517498
2-(1-Amino-2,2,2-trifluoroethyl)thiophen-3-amine
CID 130000442
2-(Aminomethyl)thiophen-3-amine
CID 66385285

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,2-trifluoroethoxyamino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(2,2,2-trifluoroethoxyamino)methyl]thiophen-3-amine (CID 82711604) is 2-[(2,2,2-trifluoroethoxyamino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(2,2,2-trifluoroethoxyamino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(2,2,2-trifluoroethoxyamino)methyl]thiophen-3-amine is Nc1ccsc1CNOCC(F)(F)F.
What is the InChIKey of 2-[(2,2,2-trifluoroethoxyamino)methyl]thiophen-3-amine?
The InChIKey is GFQLWEDAZQXDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2OS/c8-7(9,10)4-13-12-3-6-5(11)1-2-14-6/h1-2,12H,3-4,11H2.
What are the key properties of 2-[(2,2,2-trifluoroethoxyamino)methyl]thiophen-3-amine?
2-[(2,2,2-trifluoroethoxyamino)methyl]thiophen-3-amine has a molecular weight of 226.22 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,2-trifluoroethoxyamino)methyl]thiophen-3-amine is sourced from PubChem (CID 82711604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).