3-iodo-N-(1,1,1-trifluoropropan-2-yl)thiophene-2-carboxamide

C8H7F3INOS — CID 130805140

IUPAC3-iodo-N-(1,1,1-trifluoropropan-2-yl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1sccc1I)C(F)(F)F
InChIInChI=1S/C8H7F3INOS/c1-4(8(9,10)11)13-7(14)6-5(12)2-3-15-6/h2-4H,1H3,(H,13,14)
InChIKeyPWGADLRZHMPMFQ-UHFFFAOYSA-N
MW349.12 g/mol
LogP3.03
Rot. Bonds2

About 3-iodo-N-(1,1,1-trifluoropropan-2-yl)thiophene-2-carboxamide

3-iodo-N-(1,1,1-trifluoropropan-2-yl)thiophene-2-carboxamide (PubChem CID 130805140) has the molecular formula C8H7F3INOS and a molecular weight of 349.12 g/mol. Its IUPAC name is 3-iodo-N-(1,1,1-trifluoropropan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-iodo-N-(1,1,1-trifluoropropan-2-yl)thiophene-2-carboxamide
PubChem CID130805140
Molecular FormulaC8H7F3INOS
Molecular Weight349.12 g/mol
Exact Mass348.92
IUPAC Name3-iodo-N-(1,1,1-trifluoropropan-2-yl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1sccc1I)C(F)(F)F
InChIInChI=1S/C8H7F3INOS/c1-4(8(9,10)11)13-7(14)6-5(12)2-3-15-6/h2-4H,1H3,(H,13,14)
InChIKeyPWGADLRZHMPMFQ-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.12
LogP ≤ 53.03
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

N-hydroxy-3-iodothiophene-2-carboxamide
CID 130576418
3-iodo-N-(4-methylthiophen-3-yl)thiophene-2-carboxamide
CID 130992683
[(3-iodothiophene-2-carbonyl)amino]thiourea
CID 130576836
3-iodo-N-[2-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]ethyl]thiophene-2-carboxamide
CID 68763095
3-iodo-N-[(1-methylazetidin-3-yl)methyl]thiophene-2-carboxamide
CID 130783846
1-methyl-1-(1,3-thiazol-2-ylmethyl)-3-[(2S)-1,1,1-trifluoropropan-2-yl]urea
CID 164642240
1-methyl-1-(1,3-thiazol-2-ylmethyl)-3-(1,1,1-trifluoropropan-2-yl)urea
CID 131891024
N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide
CID 130767344
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-fluorothiophene-2-carboxamide
CID 130594260
4-[4-(1,1,1-trifluoropropan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 122559242
4-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 125437704
N-[2-acetamido-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-iodothiophene-2-carboxamide
CID 66798431

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(1,1,1-trifluoropropan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 3-iodo-N-(1,1,1-trifluoropropan-2-yl)thiophene-2-carboxamide (CID 130805140) is 3-iodo-N-(1,1,1-trifluoropropan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-iodo-N-(1,1,1-trifluoropropan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-iodo-N-(1,1,1-trifluoropropan-2-yl)thiophene-2-carboxamide is CC(NC(=O)c1sccc1I)C(F)(F)F.
What is the InChIKey of 3-iodo-N-(1,1,1-trifluoropropan-2-yl)thiophene-2-carboxamide?
The InChIKey is PWGADLRZHMPMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3INOS/c1-4(8(9,10)11)13-7(14)6-5(12)2-3-15-6/h2-4H,1H3,(H,13,14).
What are the key properties of 3-iodo-N-(1,1,1-trifluoropropan-2-yl)thiophene-2-carboxamide?
3-iodo-N-(1,1,1-trifluoropropan-2-yl)thiophene-2-carboxamide has a molecular weight of 349.12 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(1,1,1-trifluoropropan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 130805140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).