2-[2-fluoro-3-(trifluoromethyl)phenyl]-5-iodo-1,3,4-oxadiazole

C9H3F4IN2O — CID 114771699

IUPAC2-[2-fluoro-3-(trifluoromethyl)phenyl]-5-iodo-1,3,4-oxadiazole
SMILESFc1c(-c2nnc(I)o2)cccc1C(F)(F)F
InChIInChI=1S/C9H3F4IN2O/c10-6-4(7-15-16-8(14)17-7)2-1-3-5(6)9(11,12)13/h1-3H
InChIKeyOXRUPXYIZKTJDP-UHFFFAOYSA-N
MW358.03 g/mol
LogP3.50
Rot. Bonds1

About 2-[2-fluoro-3-(trifluoromethyl)phenyl]-5-iodo-1,3,4-oxadiazole

2-[2-fluoro-3-(trifluoromethyl)phenyl]-5-iodo-1,3,4-oxadiazole (PubChem CID 114771699) has the molecular formula C9H3F4IN2O and a molecular weight of 358.03 g/mol. Its IUPAC name is 2-[2-fluoro-3-(trifluoromethyl)phenyl]-5-iodo-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-fluoro-3-(trifluoromethyl)phenyl]-5-iodo-1,3,4-oxadiazole
PubChem CID114771699
Molecular FormulaC9H3F4IN2O
Molecular Weight358.03 g/mol
Exact Mass357.92
IUPAC Name2-[2-fluoro-3-(trifluoromethyl)phenyl]-5-iodo-1,3,4-oxadiazole
SMILESFc1c(-c2nnc(I)o2)cccc1C(F)(F)F
InChIInChI=1S/C9H3F4IN2O/c10-6-4(7-15-16-8(14)17-7)2-1-3-5(6)9(11,12)13/h1-3H
InChIKeyOXRUPXYIZKTJDP-UHFFFAOYSA-N
XLogP3.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.03
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 15957134
2-[2-bromo-5-(trifluoromethyl)phenyl]-5-iodo-1,3,4-oxadiazole
CID 114771658
2-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazole
CID 70028778
7-[2-fluoro-3-(trifluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171973824
3-[2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenol
CID 53222164
3-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrole
CID 174897373
2-(5-bromo-2-fluorophenyl)-5-iodo-1,3,4-oxadiazole
CID 114771851
[4-[2-fluoro-3-(trifluoromethyl)phenyl]phenyl]methanol
CID 171382914
2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 71563552
[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]azanide
CID 157234395
2-benzylsulfanyl-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 53495036
4-fluoro-3,5-bis[2-(trifluoromethyl)phenyl]pyridine
CID 133089510

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-3-(trifluoromethyl)phenyl]-5-iodo-1,3,4-oxadiazole?
The IUPAC name of 2-[2-fluoro-3-(trifluoromethyl)phenyl]-5-iodo-1,3,4-oxadiazole (CID 114771699) is 2-[2-fluoro-3-(trifluoromethyl)phenyl]-5-iodo-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-fluoro-3-(trifluoromethyl)phenyl]-5-iodo-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-fluoro-3-(trifluoromethyl)phenyl]-5-iodo-1,3,4-oxadiazole is Fc1c(-c2nnc(I)o2)cccc1C(F)(F)F.
What is the InChIKey of 2-[2-fluoro-3-(trifluoromethyl)phenyl]-5-iodo-1,3,4-oxadiazole?
The InChIKey is OXRUPXYIZKTJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F4IN2O/c10-6-4(7-15-16-8(14)17-7)2-1-3-5(6)9(11,12)13/h1-3H.
What are the key properties of 2-[2-fluoro-3-(trifluoromethyl)phenyl]-5-iodo-1,3,4-oxadiazole?
2-[2-fluoro-3-(trifluoromethyl)phenyl]-5-iodo-1,3,4-oxadiazole has a molecular weight of 358.03 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-3-(trifluoromethyl)phenyl]-5-iodo-1,3,4-oxadiazole is sourced from PubChem (CID 114771699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).