N-(3,3-difluoro-2-hydroxypropyl)-5-iodothiophene-3-carboxamide

C8H8F2INO2S — CID 103769933

IUPACN-(3,3-difluoro-2-hydroxypropyl)-5-iodothiophene-3-carboxamide
SMILESO=C(NCC(O)C(F)F)c1csc(I)c1
InChIInChI=1S/C8H8F2INO2S/c9-7(10)5(13)2-12-8(14)4-1-6(11)15-3-4/h1,3,5,7,13H,2H2,(H,12,14)
InChIKeySMYKEGKPNRHQCO-UHFFFAOYSA-N
MW347.12 g/mol
LogP1.71
Rot. Bonds4

About N-(3,3-difluoro-2-hydroxypropyl)-5-iodothiophene-3-carboxamide

N-(3,3-difluoro-2-hydroxypropyl)-5-iodothiophene-3-carboxamide (PubChem CID 103769933) has the molecular formula C8H8F2INO2S and a molecular weight of 347.12 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-5-iodothiophene-3-carboxamide
PubChem CID103769933
Molecular FormulaC8H8F2INO2S
Molecular Weight347.12 g/mol
Exact Mass346.93
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-5-iodothiophene-3-carboxamide
SMILESO=C(NCC(O)C(F)F)c1csc(I)c1
InChIInChI=1S/C8H8F2INO2S/c9-7(10)5(13)2-12-8(14)4-1-6(11)15-3-4/h1,3,5,7,13H,2H2,(H,12,14)
InChIKeySMYKEGKPNRHQCO-UHFFFAOYSA-N
XLogP1.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.12
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-5-iodothiophene-3-carboxamide (CID 103769933) is N-(3,3-difluoro-2-hydroxypropyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-5-iodothiophene-3-carboxamide is O=C(NCC(O)C(F)F)c1csc(I)c1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-5-iodothiophene-3-carboxamide?
The InChIKey is SMYKEGKPNRHQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2INO2S/c9-7(10)5(13)2-12-8(14)4-1-6(11)15-3-4/h1,3,5,7,13H,2H2,(H,12,14).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-5-iodothiophene-3-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-5-iodothiophene-3-carboxamide has a molecular weight of 347.12 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 103769933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).