N-(butylideneamino)-5-fluorothiophene-2-carboxamide

C9H11FN2OS — CID 171133999

IUPACN-(butylideneamino)-5-fluorothiophene-2-carboxamide
SMILESCCCC=NNC(=O)c1ccc(F)s1
InChIInChI=1S/C9H11FN2OS/c1-2-3-6-11-12-9(13)7-4-5-8(10)14-7/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyIKLHRDHLCCGFSA-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.40
Rot. Bonds4

About N-(butylideneamino)-5-fluorothiophene-2-carboxamide

N-(butylideneamino)-5-fluorothiophene-2-carboxamide (PubChem CID 171133999) has the molecular formula C9H11FN2OS and a molecular weight of 214.27 g/mol. Its IUPAC name is N-(butylideneamino)-5-fluorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(butylideneamino)-5-fluorothiophene-2-carboxamide
PubChem CID171133999
Molecular FormulaC9H11FN2OS
Molecular Weight214.27 g/mol
Exact Mass214.06
IUPAC NameN-(butylideneamino)-5-fluorothiophene-2-carboxamide
SMILESCCCC=NNC(=O)c1ccc(F)s1
InChIInChI=1S/C9H11FN2OS/c1-2-3-6-11-12-9(13)7-4-5-8(10)14-7/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyIKLHRDHLCCGFSA-UHFFFAOYSA-N
XLogP2.40
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(butylideneamino)-5-fluorothiophene-2-carboxamide?
The IUPAC name of N-(butylideneamino)-5-fluorothiophene-2-carboxamide (CID 171133999) is N-(butylideneamino)-5-fluorothiophene-2-carboxamide.
What is the SMILES notation for N-(butylideneamino)-5-fluorothiophene-2-carboxamide?
The canonical SMILES for N-(butylideneamino)-5-fluorothiophene-2-carboxamide is CCCC=NNC(=O)c1ccc(F)s1.
What is the InChIKey of N-(butylideneamino)-5-fluorothiophene-2-carboxamide?
The InChIKey is IKLHRDHLCCGFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2OS/c1-2-3-6-11-12-9(13)7-4-5-8(10)14-7/h4-6H,2-3H2,1H3,(H,12,13).
What are the key properties of N-(butylideneamino)-5-fluorothiophene-2-carboxamide?
N-(butylideneamino)-5-fluorothiophene-2-carboxamide has a molecular weight of 214.27 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylideneamino)-5-fluorothiophene-2-carboxamide is sourced from PubChem (CID 171133999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).