1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)methanamine

C7H8F3NOS — CID 82711207

IUPAC1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)methanamine
SMILESFC(F)(F)CONCc1cccs1
InChIInChI=1S/C7H8F3NOS/c8-7(9,10)5-12-11-4-6-2-1-3-13-6/h1-3,11H,4-5H2
InChIKeyJLWMKKSNFDHEJG-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.33
Rot. Bonds4

About 1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)methanamine

1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)methanamine (PubChem CID 82711207) has the molecular formula C7H8F3NOS and a molecular weight of 211.21 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)methanamine.

Molecular Properties

Compound Name1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)methanamine
PubChem CID82711207
Molecular FormulaC7H8F3NOS
Molecular Weight211.21 g/mol
Exact Mass211.03
IUPAC Name1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)methanamine
SMILESFC(F)(F)CONCc1cccs1
InChIInChI=1S/C7H8F3NOS/c8-7(9,10)5-12-11-4-6-2-1-3-13-6/h1-3,11H,4-5H2
InChIKeyJLWMKKSNFDHEJG-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(2-methoxyethoxy)-1-thiophen-2-ylmethanamine
CID 82711494
4-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)butanamide
CID 81340698
N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 3749251
N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 1460717
4-thiophen-2-yl-1-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103215355
N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 79072850
2-(2,2-difluoro-2-iodoethyl)thiophene
CID 175168405
2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 21304833
1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine
CID 82710634
1-(4-bromophenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82712089
1-(thiophen-2-ylmethyl)-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]thiourea
CID 71893810
N-(thiophen-2-ylmethyl)-2-(4,4,4-trifluorobutoxy)propan-1-amine
CID 82793135

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)methanamine?
The IUPAC name of 1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)methanamine (CID 82711207) is 1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)methanamine.
What is the SMILES notation for 1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)methanamine?
The canonical SMILES for 1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)methanamine is FC(F)(F)CONCc1cccs1.
What is the InChIKey of 1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)methanamine?
The InChIKey is JLWMKKSNFDHEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NOS/c8-7(9,10)5-12-11-4-6-2-1-3-13-6/h1-3,11H,4-5H2.
What are the key properties of 1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)methanamine?
1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)methanamine has a molecular weight of 211.21 g/mol, XLogP of 2.33, 4 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)methanamine is sourced from PubChem (CID 82711207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).