N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroacetamide

C8H8ClF2NOS — CID 107167911

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroacetamide
SMILESO=C(NCCc1ccc(Cl)s1)C(F)F
InChIInChI=1S/C8H8ClF2NOS/c9-6-2-1-5(14-6)3-4-12-8(13)7(10)11/h1-2,7H,3-4H2,(H,12,13)
InChIKeyZMMZWZHRGVTKSO-UHFFFAOYSA-N
MW239.67 g/mol
LogP2.33
Rot. Bonds4

About N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroacetamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroacetamide (PubChem CID 107167911) has the molecular formula C8H8ClF2NOS and a molecular weight of 239.67 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroacetamide
PubChem CID107167911
Molecular FormulaC8H8ClF2NOS
Molecular Weight239.67 g/mol
Exact Mass239.00
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroacetamide
SMILESO=C(NCCc1ccc(Cl)s1)C(F)F
InChIInChI=1S/C8H8ClF2NOS/c9-6-2-1-5(14-6)3-4-12-8(13)7(10)11/h1-2,7H,3-4H2,(H,12,13)
InChIKeyZMMZWZHRGVTKSO-UHFFFAOYSA-N
XLogP2.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroacetamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroacetamide (CID 107167911) is N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroacetamide is O=C(NCCc1ccc(Cl)s1)C(F)F.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroacetamide?
The InChIKey is ZMMZWZHRGVTKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NOS/c9-6-2-1-5(14-6)3-4-12-8(13)7(10)11/h1-2,7H,3-4H2,(H,12,13).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroacetamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroacetamide has a molecular weight of 239.67 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroacetamide is sourced from PubChem (CID 107167911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).