2-[(1R)-1-iodopropyl]thiophene

C7H9IS — CID 142234064

IUPAC2-[(1R)-1-iodopropyl]thiophene
SMILESCC[C@@H](I)c1cccs1
InChIInChI=1S/C7H9IS/c1-2-6(8)7-4-3-5-9-7/h3-6H,2H2,1H3/t6-/m1/s1
InChIKeyWCXBUCPEKNBWCI-ZCFIWIBFSA-N
MW252.12 g/mol
LogP3.63
Rot. Bonds2

About 2-[(1R)-1-iodopropyl]thiophene

2-[(1R)-1-iodopropyl]thiophene (PubChem CID 142234064) has the molecular formula C7H9IS and a molecular weight of 252.12 g/mol. Its IUPAC name is 2-[(1R)-1-iodopropyl]thiophene.

Molecular Properties

Compound Name2-[(1R)-1-iodopropyl]thiophene
PubChem CID142234064
Molecular FormulaC7H9IS
Molecular Weight252.12 g/mol
Exact Mass251.95
IUPAC Name2-[(1R)-1-iodopropyl]thiophene
SMILESCC[C@@H](I)c1cccs1
InChIInChI=1S/C7H9IS/c1-2-6(8)7-4-3-5-9-7/h3-6H,2H2,1H3/t6-/m1/s1
InChIKeyWCXBUCPEKNBWCI-ZCFIWIBFSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 53.63
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

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CID 178128598
2,2-dimethyl-1-thiophen-2-ylbutan-1-ol
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2-hex-5-yn-3-ylthiophene
CID 83934801
2-(1-ethoxybutan-2-yl)thiophene
CID 91415896
3-thiophen-2-ylpentanal
CID 83827070
2-thiophen-2-ylbutanoic acid;hydrochloride
CID 141021688
N-(2-thiophen-2-ylpropyl)butan-2-amine
CID 115722128
N-(dithiophen-2-ylmethyl)-2-methylbutan-1-amine
CID 62694333
2-(1-bromononyl)thiophene
CID 65427153
2-[iodo(phenyl)methyl]thiophene
CID 170552548
N-(1-thiophen-2-ylpropyl)ethanesulfonamide
CID 47372817

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-iodopropyl]thiophene?
The IUPAC name of 2-[(1R)-1-iodopropyl]thiophene (CID 142234064) is 2-[(1R)-1-iodopropyl]thiophene.
What is the SMILES notation for 2-[(1R)-1-iodopropyl]thiophene?
The canonical SMILES for 2-[(1R)-1-iodopropyl]thiophene is CC[C@@H](I)c1cccs1.
What is the InChIKey of 2-[(1R)-1-iodopropyl]thiophene?
The InChIKey is WCXBUCPEKNBWCI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H9IS/c1-2-6(8)7-4-3-5-9-7/h3-6H,2H2,1H3/t6-/m1/s1.
What are the key properties of 2-[(1R)-1-iodopropyl]thiophene?
2-[(1R)-1-iodopropyl]thiophene has a molecular weight of 252.12 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-iodopropyl]thiophene is sourced from PubChem (CID 142234064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).