4-[3,5-bis(trifluoromethyl)phenyl]-2-iodo-1,3-oxazole

C11H4F6INO — CID 102974686

IUPAC4-[3,5-bis(trifluoromethyl)phenyl]-2-iodo-1,3-oxazole
SMILESFC(F)(F)c1cc(-c2coc(I)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C11H4F6INO/c12-10(13,14)6-1-5(8-4-20-9(18)19-8)2-7(3-6)11(15,16)17/h1-4H
InChIKeyHNVXEJBXNOBORA-UHFFFAOYSA-N
MW407.05 g/mol
LogP4.98
Rot. Bonds1

About 4-[3,5-bis(trifluoromethyl)phenyl]-2-iodo-1,3-oxazole

4-[3,5-bis(trifluoromethyl)phenyl]-2-iodo-1,3-oxazole (PubChem CID 102974686) has the molecular formula C11H4F6INO and a molecular weight of 407.05 g/mol. Its IUPAC name is 4-[3,5-bis(trifluoromethyl)phenyl]-2-iodo-1,3-oxazole.

Molecular Properties

Compound Name4-[3,5-bis(trifluoromethyl)phenyl]-2-iodo-1,3-oxazole
PubChem CID102974686
Molecular FormulaC11H4F6INO
Molecular Weight407.05 g/mol
Exact Mass406.92
IUPAC Name4-[3,5-bis(trifluoromethyl)phenyl]-2-iodo-1,3-oxazole
SMILESFC(F)(F)c1cc(-c2coc(I)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C11H4F6INO/c12-10(13,14)6-1-5(8-4-20-9(18)19-8)2-7(3-6)11(15,16)17/h1-4H
InChIKeyHNVXEJBXNOBORA-UHFFFAOYSA-N
XLogP4.98
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.05
LogP ≤ 54.98
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

4-(3,5-difluorophenyl)-2-iodo-1,3-oxazole
CID 45139288
2,9-bis[3,5-bis(trifluoromethyl)phenyl]-1,10-phenanthroline
CID 23400643
3-[3,5-bis(trifluoromethyl)phenyl]isoquinoline
CID 138972935
2-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 155675192
4-[3,5-bis(trifluoromethyl)phenyl]-2-methylpyrimidine
CID 143532720
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
2-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)pyridine
CID 169072353
2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine
CID 89005561
2-amino-5-[3,5-bis(trifluoromethyl)phenyl]-6-(furan-2-yl)pyridine-3-carbonitrile
CID 22707974
6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 90189586
4-[6-(4-hydroxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]phenol
CID 136862136
2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293746

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(trifluoromethyl)phenyl]-2-iodo-1,3-oxazole?
The IUPAC name of 4-[3,5-bis(trifluoromethyl)phenyl]-2-iodo-1,3-oxazole (CID 102974686) is 4-[3,5-bis(trifluoromethyl)phenyl]-2-iodo-1,3-oxazole.
What is the SMILES notation for 4-[3,5-bis(trifluoromethyl)phenyl]-2-iodo-1,3-oxazole?
The canonical SMILES for 4-[3,5-bis(trifluoromethyl)phenyl]-2-iodo-1,3-oxazole is FC(F)(F)c1cc(-c2coc(I)n2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[3,5-bis(trifluoromethyl)phenyl]-2-iodo-1,3-oxazole?
The InChIKey is HNVXEJBXNOBORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F6INO/c12-10(13,14)6-1-5(8-4-20-9(18)19-8)2-7(3-6)11(15,16)17/h1-4H.
What are the key properties of 4-[3,5-bis(trifluoromethyl)phenyl]-2-iodo-1,3-oxazole?
4-[3,5-bis(trifluoromethyl)phenyl]-2-iodo-1,3-oxazole has a molecular weight of 407.05 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(trifluoromethyl)phenyl]-2-iodo-1,3-oxazole is sourced from PubChem (CID 102974686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).