5-iodo-2-[3-(trifluoromethyl)phenoxy]pyrimidine

C11H6F3IN2O — CID 13336606

IUPAC5-iodo-2-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESFC(F)(F)c1cccc(Oc2ncc(I)cn2)c1
InChIInChI=1S/C11H6F3IN2O/c12-11(13,14)7-2-1-3-9(4-7)18-10-16-5-8(15)6-17-10/h1-6H
InChIKeyWTQZVHKOTYJXJF-UHFFFAOYSA-N
MW366.08 g/mol
LogP3.89
Rot. Bonds2

About 5-iodo-2-[3-(trifluoromethyl)phenoxy]pyrimidine

5-iodo-2-[3-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 13336606) has the molecular formula C11H6F3IN2O and a molecular weight of 366.08 g/mol. Its IUPAC name is 5-iodo-2-[3-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name5-iodo-2-[3-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID13336606
Molecular FormulaC11H6F3IN2O
Molecular Weight366.08 g/mol
Exact Mass365.95
IUPAC Name5-iodo-2-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESFC(F)(F)c1cccc(Oc2ncc(I)cn2)c1
InChIInChI=1S/C11H6F3IN2O/c12-11(13,14)7-2-1-3-9(4-7)18-10-16-5-8(15)6-17-10/h1-6H
InChIKeyWTQZVHKOTYJXJF-UHFFFAOYSA-N
XLogP3.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.08
LogP ≤ 53.89
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

4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
5-[3-(trifluoromethyl)phenoxy]benzene-1,3-diamine
CID 126478251
2-naphthalen-2-yloxy-5-(trifluoromethyl)pyrimidine
CID 154226317
5-iodo-2-[3-(methoxymethyl)phenoxy]pyrimidine
CID 104843800
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
5-methyl-4-[3-(trifluoromethyl)phenoxy]pyridin-2-amine
CID 155344405
4-[3-(trifluoromethyl)phenoxy]aniline
CID 2760750
4-[3-(trifluoromethyl)phenoxy]-1,2-thiazole 1,1-dioxide
CID 117233743
2-(3-bromo-4-fluorophenoxy)-5-iodopyrimidine
CID 104844305
4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 152556619
2-N,2-N-dimethyl-6-[3-(trifluoromethyl)phenoxy]-1,3,5-triazine-2,4-diamine
CID 80874520

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 5-iodo-2-[3-(trifluoromethyl)phenoxy]pyrimidine (CID 13336606) is 5-iodo-2-[3-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 5-iodo-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 5-iodo-2-[3-(trifluoromethyl)phenoxy]pyrimidine is FC(F)(F)c1cccc(Oc2ncc(I)cn2)c1.
What is the InChIKey of 5-iodo-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is WTQZVHKOTYJXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3IN2O/c12-11(13,14)7-2-1-3-9(4-7)18-10-16-5-8(15)6-17-10/h1-6H.
What are the key properties of 5-iodo-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
5-iodo-2-[3-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 366.08 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[3-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 13336606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).