N-(3-amino-2,2-difluoropropyl)-2,5-dichlorothiophene-3-carboxamide

C8H8Cl2F2N2OS — CID 104954947

IUPACN-(3-amino-2,2-difluoropropyl)-2,5-dichlorothiophene-3-carboxamide
SMILESNCC(F)(F)CNC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H8Cl2F2N2OS/c9-5-1-4(6(10)16-5)7(15)14-3-8(11,12)2-13/h1H,2-3,13H2,(H,14,15)
InChIKeyYQCMIOVQAZDBNS-UHFFFAOYSA-N
MW289.13 g/mol
LogP2.38
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)-2,5-dichlorothiophene-3-carboxamide

N-(3-amino-2,2-difluoropropyl)-2,5-dichlorothiophene-3-carboxamide (PubChem CID 104954947) has the molecular formula C8H8Cl2F2N2OS and a molecular weight of 289.13 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2,5-dichlorothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2,5-dichlorothiophene-3-carboxamide
PubChem CID104954947
Molecular FormulaC8H8Cl2F2N2OS
Molecular Weight289.13 g/mol
Exact Mass287.97
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2,5-dichlorothiophene-3-carboxamide
SMILESNCC(F)(F)CNC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H8Cl2F2N2OS/c9-5-1-4(6(10)16-5)7(15)14-3-8(11,12)2-13/h1H,2-3,13H2,(H,14,15)
InChIKeyYQCMIOVQAZDBNS-UHFFFAOYSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-2,5-dichlorothiophene-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2,5-dichlorothiophene-3-carboxamide (CID 104954947) is N-(3-amino-2,2-difluoropropyl)-2,5-dichlorothiophene-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2,5-dichlorothiophene-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2,5-dichlorothiophene-3-carboxamide is NCC(F)(F)CNC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2,5-dichlorothiophene-3-carboxamide?
The InChIKey is YQCMIOVQAZDBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2F2N2OS/c9-5-1-4(6(10)16-5)7(15)14-3-8(11,12)2-13/h1H,2-3,13H2,(H,14,15).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2,5-dichlorothiophene-3-carboxamide?
N-(3-amino-2,2-difluoropropyl)-2,5-dichlorothiophene-3-carboxamide has a molecular weight of 289.13 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-2,5-dichlorothiophene-3-carboxamide is sourced from PubChem (CID 104954947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).