5-iodo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide

C9H9F3INOS — CID 104854913

IUPAC5-iodo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide
SMILESCC(CC(F)(F)F)NC(=O)c1csc(I)c1
InChIInChI=1S/C9H9F3INOS/c1-5(3-9(10,11)12)14-8(15)6-2-7(13)16-4-6/h2,4-5H,3H2,1H3,(H,14,15)
InChIKeyHWAKNQZBBBXYEJ-UHFFFAOYSA-N
MW363.14 g/mol
LogP3.42
Rot. Bonds3

About 5-iodo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide

5-iodo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide (PubChem CID 104854913) has the molecular formula C9H9F3INOS and a molecular weight of 363.14 g/mol. Its IUPAC name is 5-iodo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide
PubChem CID104854913
Molecular FormulaC9H9F3INOS
Molecular Weight363.14 g/mol
Exact Mass362.94
IUPAC Name5-iodo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide
SMILESCC(CC(F)(F)F)NC(=O)c1csc(I)c1
InChIInChI=1S/C9H9F3INOS/c1-5(3-9(10,11)12)14-8(15)6-2-7(13)16-4-6/h2,4-5H,3H2,1H3,(H,14,15)
InChIKeyHWAKNQZBBBXYEJ-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.14
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide
CID 78948996
5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 78949917
3-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104854865
5-iodo-N-(1-phenylpropan-2-yl)thiophene-3-carboxamide
CID 79692781
N-(4-ethylsulfanylbutan-2-yl)-5-iodothiophene-3-carboxamide
CID 115662170
5-iodo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 79692763
5-iodo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-3-carboxamide
CID 78948571
5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide
CID 78950186
(2S)-2-[(5-iodothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 79684876
5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide
CID 79691672
N-(1-chloro-4-methylpentan-3-yl)-5-iodothiophene-3-carboxamide
CID 106354884
5-iodo-N-[1-oxo-1-(propylamino)propan-2-yl]thiophene-3-carboxamide
CID 78948643

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide (CID 104854913) is 5-iodo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide is CC(CC(F)(F)F)NC(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide?
The InChIKey is HWAKNQZBBBXYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3INOS/c1-5(3-9(10,11)12)14-8(15)6-2-7(13)16-4-6/h2,4-5H,3H2,1H3,(H,14,15).
What are the key properties of 5-iodo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide?
5-iodo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide has a molecular weight of 363.14 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 104854913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).