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

C11H13ClF3NO2S — CID 86990375

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)COCC(F)(F)F
InChIInChI=1S/C11H13ClF3NO2S/c1-2-16(5-8-3-4-9(12)19-8)10(17)6-18-7-11(13,14)15/h3-4H,2,5-7H2,1H3
InChIKeyQVHDCZDQCYZBAY-UHFFFAOYSA-N
MW315.74 g/mol
LogP3.33
Rot. Bonds6

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

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86990375) has the molecular formula C11H13ClF3NO2S and a molecular weight of 315.74 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86990375
Molecular FormulaC11H13ClF3NO2S
Molecular Weight315.74 g/mol
Exact Mass315.03
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)COCC(F)(F)F
InChIInChI=1S/C11H13ClF3NO2S/c1-2-16(5-8-3-4-9(12)19-8)10(17)6-18-7-11(13,14)15/h3-4H,2,5-7H2,1H3
InChIKeyQVHDCZDQCYZBAY-UHFFFAOYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.74
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)acetamide (CID 86990375) is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)acetamide is CCN(Cc1ccc(Cl)s1)C(=O)COCC(F)(F)F.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is QVHDCZDQCYZBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO2S/c1-2-16(5-8-3-4-9(12)19-8)10(17)6-18-7-11(13,14)15/h3-4H,2,5-7H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 315.74 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 86990375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).