N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-iodothiophene-3-carboxamide

C9H10F2INO2S — CID 107479989

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-iodothiophene-3-carboxamide
SMILESO=C(c1csc(I)c1)N(CCO)CC(F)F
InChIInChI=1S/C9H10F2INO2S/c10-7(11)4-13(1-2-14)9(15)6-3-8(12)16-5-6/h3,5,7,14H,1-2,4H2
InChIKeyHXRRXRDBZHSQHB-UHFFFAOYSA-N
MW361.15 g/mol
LogP2.05
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-iodothiophene-3-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-iodothiophene-3-carboxamide (PubChem CID 107479989) has the molecular formula C9H10F2INO2S and a molecular weight of 361.15 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-iodothiophene-3-carboxamide
PubChem CID107479989
Molecular FormulaC9H10F2INO2S
Molecular Weight361.15 g/mol
Exact Mass360.94
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-iodothiophene-3-carboxamide
SMILESO=C(c1csc(I)c1)N(CCO)CC(F)F
InChIInChI=1S/C9H10F2INO2S/c10-7(11)4-13(1-2-14)9(15)6-3-8(12)16-5-6/h3,5,7,14H,1-2,4H2
InChIKeyHXRRXRDBZHSQHB-UHFFFAOYSA-N
XLogP2.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.15
LogP ≤ 52.05
H-Bond Donors ≤ 51
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-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-iodothiophene-3-carboxamide (CID 107479989) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-iodothiophene-3-carboxamide is O=C(c1csc(I)c1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-iodothiophene-3-carboxamide?
The InChIKey is HXRRXRDBZHSQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2INO2S/c10-7(11)4-13(1-2-14)9(15)6-3-8(12)16-5-6/h3,5,7,14H,1-2,4H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-iodothiophene-3-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-iodothiophene-3-carboxamide has a molecular weight of 361.15 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 107479989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).