N-[(5-chlorothiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C9H11ClF3NOS — CID 60733758

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1ccc(Cl)s1
InChIInChI=1S/C9H11ClF3NOS/c10-8-2-1-7(16-8)5-14-3-4-15-6-9(11,12)13/h1-2,14H,3-6H2
InChIKeyREFJXWVKZKBFPC-UHFFFAOYSA-N
MW273.71 g/mol
LogP3.07
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[(5-chlorothiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 60733758) has the molecular formula C9H11ClF3NOS and a molecular weight of 273.71 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID60733758
Molecular FormulaC9H11ClF3NOS
Molecular Weight273.71 g/mol
Exact Mass273.02
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1ccc(Cl)s1
InChIInChI=1S/C9H11ClF3NOS/c10-8-2-1-7(16-8)5-14-3-4-15-6-9(11,12)13/h1-2,14H,3-6H2
InChIKeyREFJXWVKZKBFPC-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.71
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-thienylmethyl)-N-(2-vinyloxyethyl)amine
CID 3865559
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 45893374
1-[2-(5-Chlorothiophen-2-yl)ethyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 78889622
N-[(4-chlorothiophen-2-yl)methyl]-3-methyloxetan-3-amine
CID 137956793
N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 28595983
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43438902
1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine
CID 43491985
1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43491992
1-(5-chlorothiophen-2-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 43492088
1-(5-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
CID 43496952
N-[1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 43496959
1-(5-chlorothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 43497053

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 60733758) is N-[(5-chlorothiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is FC(F)(F)COCCNCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is REFJXWVKZKBFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3NOS/c10-8-2-1-7(16-8)5-14-3-4-15-6-9(11,12)13/h1-2,14H,3-6H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 273.71 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 60733758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).