1-(5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine

C7H7ClF3NOS — CID 82712053

IUPAC1-(5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESFC(F)(F)CONCc1ccc(Cl)s1
InChIInChI=1S/C7H7ClF3NOS/c8-6-2-1-5(14-6)3-12-13-4-7(9,10)11/h1-2,12H,3-4H2
InChIKeyYKQJHKXITHPUGD-UHFFFAOYSA-N
MW245.65 g/mol
LogP2.98
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine

1-(5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine (PubChem CID 82712053) has the molecular formula C7H7ClF3NOS and a molecular weight of 245.65 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine
PubChem CID82712053
Molecular FormulaC7H7ClF3NOS
Molecular Weight245.65 g/mol
Exact Mass244.99
IUPAC Name1-(5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESFC(F)(F)CONCc1ccc(Cl)s1
InChIInChI=1S/C7H7ClF3NOS/c8-6-2-1-5(14-6)3-12-13-4-7(9,10)11/h1-2,12H,3-4H2
InChIKeyYKQJHKXITHPUGD-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.65
LogP ≤ 52.98
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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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine (CID 82712053) is 1-(5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine is FC(F)(F)CONCc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The InChIKey is YKQJHKXITHPUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3NOS/c8-6-2-1-5(14-6)3-12-13-4-7(9,10)11/h1-2,12H,3-4H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
1-(5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine has a molecular weight of 245.65 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine is sourced from PubChem (CID 82712053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).