N-(5-chlorothiophen-2-yl)-2,2,2-trifluoroacetamide

C6H3ClF3NOS — CID 115190102

IUPACN-(5-chlorothiophen-2-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(Cl)s1)C(F)(F)F
InChIInChI=1S/C6H3ClF3NOS/c7-3-1-2-4(13-3)11-5(12)6(8,9)10/h1-2H,(H,11,12)
InChIKeyMWPGLUSYIOJXOJ-UHFFFAOYSA-N
MW229.61 g/mol
LogP2.90
Rot. Bonds1

About N-(5-chlorothiophen-2-yl)-2,2,2-trifluoroacetamide

N-(5-chlorothiophen-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 115190102) has the molecular formula C6H3ClF3NOS and a molecular weight of 229.61 g/mol. Its IUPAC name is N-(5-chlorothiophen-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-chlorothiophen-2-yl)-2,2,2-trifluoroacetamide
PubChem CID115190102
Molecular FormulaC6H3ClF3NOS
Molecular Weight229.61 g/mol
Exact Mass228.96
IUPAC NameN-(5-chlorothiophen-2-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(Cl)s1)C(F)(F)F
InChIInChI=1S/C6H3ClF3NOS/c7-3-1-2-4(13-3)11-5(12)6(8,9)10/h1-2H,(H,11,12)
InChIKeyMWPGLUSYIOJXOJ-UHFFFAOYSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.61
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-(2-thienyl)acetamide
CID 85637820
N-(5-chlorothiophen-2-yl)acetamide
CID 11492022
N-(5-fluorothiophen-2-yl)acetamide
CID 16640296
N-(5-chlorothiophen-2-yl)-2,2,2-trifluoro-N-methylacetamide
CID 115190169
5-chloro-N-(2,2,2-trifluoroethyl)thiophen-2-amine
CID 115257639
N-(4,5-dichloro-2-thienyl)acetamide
CID 16640236
Lithium 2-[(5-chlorothiophen-2-yl)amino]-2-oxoacetate
CID 58893643
2-chloro-N-(5-chlorothiophen-2-yl)acetamide
CID 69451348
(5-Chlorothiophen-2-yl)urea
CID 83529731
N-(5-chlorothiophen-2-yl)formamide
CID 87756625
N-(5-chlorothiophen-2-yl)-2-oxoacetamide
CID 90295618
N'-(5-chlorothiophen-2-yl)oxamide
CID 115191529

Frequently Asked Questions

What is the IUPAC name of N-(5-chlorothiophen-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-chlorothiophen-2-yl)-2,2,2-trifluoroacetamide (CID 115190102) is N-(5-chlorothiophen-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-chlorothiophen-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-chlorothiophen-2-yl)-2,2,2-trifluoroacetamide is O=C(Nc1ccc(Cl)s1)C(F)(F)F.
What is the InChIKey of N-(5-chlorothiophen-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is MWPGLUSYIOJXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NOS/c7-3-1-2-4(13-3)11-5(12)6(8,9)10/h1-2H,(H,11,12).
What are the key properties of N-(5-chlorothiophen-2-yl)-2,2,2-trifluoroacetamide?
N-(5-chlorothiophen-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 229.61 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chlorothiophen-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 115190102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).