N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroacetamide

C7H5Cl2F2NOS — CID 131187252

IUPACN-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroacetamide
SMILESO=C(NCc1cc(Cl)sc1Cl)C(F)F
InChIInChI=1S/C7H5Cl2F2NOS/c8-4-1-3(5(9)14-4)2-12-7(13)6(10)11/h1,6H,2H2,(H,12,13)
InChIKeyVZWFLPOILWGAQP-UHFFFAOYSA-N
MW260.09 g/mol
LogP2.94
Rot. Bonds3

About N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroacetamide

N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroacetamide (PubChem CID 131187252) has the molecular formula C7H5Cl2F2NOS and a molecular weight of 260.09 g/mol. Its IUPAC name is N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroacetamide
PubChem CID131187252
Molecular FormulaC7H5Cl2F2NOS
Molecular Weight260.09 g/mol
Exact Mass258.94
IUPAC NameN-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroacetamide
SMILESO=C(NCc1cc(Cl)sc1Cl)C(F)F
InChIInChI=1S/C7H5Cl2F2NOS/c8-4-1-3(5(9)14-4)2-12-7(13)6(10)11/h1,6H,2H2,(H,12,13)
InChIKeyVZWFLPOILWGAQP-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroacetamide?
The IUPAC name of N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroacetamide (CID 131187252) is N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroacetamide is O=C(NCc1cc(Cl)sc1Cl)C(F)F.
What is the InChIKey of N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroacetamide?
The InChIKey is VZWFLPOILWGAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F2NOS/c8-4-1-3(5(9)14-4)2-12-7(13)6(10)11/h1,6H,2H2,(H,12,13).
What are the key properties of N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroacetamide?
N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroacetamide has a molecular weight of 260.09 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroacetamide is sourced from PubChem (CID 131187252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).