2-(2,2-difluoro-2-iodoethyl)thiophene

C6H5F2IS — CID 175168405

IUPAC2-(2,2-difluoro-2-iodoethyl)thiophene
SMILESFC(F)(I)Cc1cccs1
InChIInChI=1S/C6H5F2IS/c7-6(8,9)4-5-2-1-3-10-5/h1-3H,4H2
InChIKeyRAQIQQYWFFPWLI-UHFFFAOYSA-N
MW274.07 g/mol
LogP3.32
Rot. Bonds2

About 2-(2,2-difluoro-2-iodoethyl)thiophene

2-(2,2-difluoro-2-iodoethyl)thiophene (PubChem CID 175168405) has the molecular formula C6H5F2IS and a molecular weight of 274.07 g/mol. Its IUPAC name is 2-(2,2-difluoro-2-iodoethyl)thiophene.

Molecular Properties

Compound Name2-(2,2-difluoro-2-iodoethyl)thiophene
PubChem CID175168405
Molecular FormulaC6H5F2IS
Molecular Weight274.07 g/mol
Exact Mass273.91
IUPAC Name2-(2,2-difluoro-2-iodoethyl)thiophene
SMILESFC(F)(I)Cc1cccs1
InChIInChI=1S/C6H5F2IS/c7-6(8,9)4-5-2-1-3-10-5/h1-3H,4H2
InChIKeyRAQIQQYWFFPWLI-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.07
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683
3-fluoro-3-methyl-4-thiophen-2-ylbutan-2-amine
CID 130574546
1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)methanamine
CID 82711207
2-[2,2-bis(bromomethyl)butyl]thiophene
CID 79456515
2-phenyl-2-(thiophen-2-ylmethyl)propane-1,3-diol
CID 79450575
2-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene
CID 79447054
2-amino-2-methyl-3-thiophen-2-ylpropanenitrile
CID 82074760
2-(bromomethyl)thiophene
CID 11829978
2-(2-fluorophenyl)-1-thiophen-2-ylpropan-2-amine
CID 62621819
2,2-dimethyl-3-thiophen-2-ylpropanethioamide
CID 174989051
2-[2,2-bis(chloromethyl)-3-methylbutyl]thiophene
CID 79447784
1-(4-fluorophenyl)-2-methyl-3-thiophen-2-ylpropan-2-ol
CID 114833192

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-2-iodoethyl)thiophene?
The IUPAC name of 2-(2,2-difluoro-2-iodoethyl)thiophene (CID 175168405) is 2-(2,2-difluoro-2-iodoethyl)thiophene.
What is the SMILES notation for 2-(2,2-difluoro-2-iodoethyl)thiophene?
The canonical SMILES for 2-(2,2-difluoro-2-iodoethyl)thiophene is FC(F)(I)Cc1cccs1.
What is the InChIKey of 2-(2,2-difluoro-2-iodoethyl)thiophene?
The InChIKey is RAQIQQYWFFPWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2IS/c7-6(8,9)4-5-2-1-3-10-5/h1-3H,4H2.
What are the key properties of 2-(2,2-difluoro-2-iodoethyl)thiophene?
2-(2,2-difluoro-2-iodoethyl)thiophene has a molecular weight of 274.07 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-2-iodoethyl)thiophene is sourced from PubChem (CID 175168405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).