N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide

C10H12F3NOS — CID 115491575

IUPACN-(5,5,5-trifluoropentyl)thiophene-2-carboxamide
SMILESO=C(NCCCCC(F)(F)F)c1cccs1
InChIInChI=1S/C10H12F3NOS/c11-10(12,13)5-1-2-6-14-9(15)8-4-3-7-16-8/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKeyNCXUXBVQDSMDSV-UHFFFAOYSA-N
MW251.27 g/mol
LogP3.21
Rot. Bonds5

About N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide

N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide (PubChem CID 115491575) has the molecular formula C10H12F3NOS and a molecular weight of 251.27 g/mol. Its IUPAC name is N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5,5,5-trifluoropentyl)thiophene-2-carboxamide
PubChem CID115491575
Molecular FormulaC10H12F3NOS
Molecular Weight251.27 g/mol
Exact Mass251.06
IUPAC NameN-(5,5,5-trifluoropentyl)thiophene-2-carboxamide
SMILESO=C(NCCCCC(F)(F)F)c1cccs1
InChIInChI=1S/C10H12F3NOS/c11-10(12,13)5-1-2-6-14-9(15)8-4-3-7-16-8/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKeyNCXUXBVQDSMDSV-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(Thiophene-2-carbonyl)amino] acetic acid methyl ester
CID 531395
N-cyclohexylthiophene-2-carboxamide
CID 855035
N-ethyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023795
N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
N-cyclopentyl-5-methylthiophene-2-carboxamide
CID 2373236
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
N-(1,1-dioxidotetrahydrothiophen-3-yl)thiophene-2-carboxamide
CID 2891912
N-[(thiophen-2-yl)methyl]acetamide
CID 30617
((2-Thienylcarbonyl)amino)acetic acid
CID 679227
N-cyclooctylthiophene-2-carboxamide
CID 673377

Frequently Asked Questions

What is the IUPAC name of N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide?
The IUPAC name of N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide (CID 115491575) is N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide?
The canonical SMILES for N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide is O=C(NCCCCC(F)(F)F)c1cccs1.
What is the InChIKey of N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide?
The InChIKey is NCXUXBVQDSMDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NOS/c11-10(12,13)5-1-2-6-14-9(15)8-4-3-7-16-8/h3-4,7H,1-2,5-6H2,(H,14,15).
What are the key properties of N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide?
N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide has a molecular weight of 251.27 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide is sourced from PubChem (CID 115491575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).