(2,6-difluorophenyl)-(5-iodothiophen-3-yl)methanone

C11H5F2IOS — CID 114972960

IUPAC(2,6-difluorophenyl)-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)c1c(F)cccc1F
InChIInChI=1S/C11H5F2IOS/c12-7-2-1-3-8(13)10(7)11(15)6-4-9(14)16-5-6/h1-5H
InChIKeyIMPSUXGAIXPAOV-UHFFFAOYSA-N
MW350.13 g/mol
LogP3.86
Rot. Bonds2

About (2,6-difluorophenyl)-(5-iodothiophen-3-yl)methanone

(2,6-difluorophenyl)-(5-iodothiophen-3-yl)methanone (PubChem CID 114972960) has the molecular formula C11H5F2IOS and a molecular weight of 350.13 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(5-iodothiophen-3-yl)methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(5-iodothiophen-3-yl)methanone
PubChem CID114972960
Molecular FormulaC11H5F2IOS
Molecular Weight350.13 g/mol
Exact Mass349.91
IUPAC Name(2,6-difluorophenyl)-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)c1c(F)cccc1F
InChIInChI=1S/C11H5F2IOS/c12-7-2-1-3-8(13)10(7)11(15)6-4-9(14)16-5-6/h1-5H
InChIKeyIMPSUXGAIXPAOV-UHFFFAOYSA-N
XLogP3.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.13
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(7-fluoro-1-benzofuran-2-yl)-(5-iodothiophen-3-yl)methanone
CID 115810047
(4-fluoro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone
CID 82793082
(4-fluoro-3-methylphenyl)-(5-iodothiophen-3-yl)methanone
CID 79735419
(5-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methanone
CID 115784588
(5-iodothiophen-3-yl)-(2,3,5,6-tetramethylphenyl)methanone
CID 79686034
5-iodo-N-(2,4,6-trifluorophenyl)thiophene-3-carboxamide
CID 79046719
N-(2-fluoro-5-methylphenyl)-5-iodothiophene-3-carboxamide
CID 78948686
N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78949454
N-[(2-chloro-6-fluorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 78949110
2-(2,5-difluorophenyl)-1-(5-iodothiophen-3-yl)ethanone
CID 114964088
5-iodo-N-methylthiophene-3-carboxamide
CID 78950138
(5-iodothiophen-3-yl)-(3-methylthiophen-2-yl)methanone
CID 79685566

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(5-iodothiophen-3-yl)methanone?
The IUPAC name of (2,6-difluorophenyl)-(5-iodothiophen-3-yl)methanone (CID 114972960) is (2,6-difluorophenyl)-(5-iodothiophen-3-yl)methanone.
What is the SMILES notation for (2,6-difluorophenyl)-(5-iodothiophen-3-yl)methanone?
The canonical SMILES for (2,6-difluorophenyl)-(5-iodothiophen-3-yl)methanone is O=C(c1csc(I)c1)c1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)-(5-iodothiophen-3-yl)methanone?
The InChIKey is IMPSUXGAIXPAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F2IOS/c12-7-2-1-3-8(13)10(7)11(15)6-4-9(14)16-5-6/h1-5H.
What are the key properties of (2,6-difluorophenyl)-(5-iodothiophen-3-yl)methanone?
(2,6-difluorophenyl)-(5-iodothiophen-3-yl)methanone has a molecular weight of 350.13 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(5-iodothiophen-3-yl)methanone is sourced from PubChem (CID 114972960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).