4-iodo-3,5-bis(trifluoromethyl)phenol

C8H3F6IO — CID 134639186

IUPAC4-iodo-3,5-bis(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)c(I)c(C(F)(F)F)c1
InChIInChI=1S/C8H3F6IO/c9-7(10,11)4-1-3(16)2-5(6(4)15)8(12,13)14/h1-2,16H
InChIKeyYBQRRXZSSPJLCR-UHFFFAOYSA-N
MW356.00 g/mol
LogP4.03
Rot. Bonds

About 4-iodo-3,5-bis(trifluoromethyl)phenol

4-iodo-3,5-bis(trifluoromethyl)phenol (PubChem CID 134639186) has the molecular formula C8H3F6IO and a molecular weight of 356.00 g/mol. Its IUPAC name is 4-iodo-3,5-bis(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-iodo-3,5-bis(trifluoromethyl)phenol
PubChem CID134639186
Molecular FormulaC8H3F6IO
Molecular Weight356.00 g/mol
Exact Mass355.91
IUPAC Name4-iodo-3,5-bis(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)c(I)c(C(F)(F)F)c1
InChIInChI=1S/C8H3F6IO/c9-7(10,11)4-1-3(16)2-5(6(4)15)8(12,13)14/h1-2,16H
InChIKeyYBQRRXZSSPJLCR-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.00
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-4-iodo-5-(trifluoromethyl)phenol
CID 171002962
2-iodo-5-methyl-3-(trifluoromethyl)phenol
CID 171835549
3-amino-4-chloro-5-(trifluoromethyl)phenol
CID 119004792
6-iodo-5-(trifluoromethyl)pyridin-3-ol
CID 130822715
3-(hydroxymethyl)-4,5-bis(trifluoromethyl)phenol
CID 119014959
2-(hydroxymethyl)-6-(trifluoromethyl)benzene-1,4-diol
CID 84675777
methyl 4-hydroxy-2,6-bis(trifluoromethyl)benzoate
CID 134639096
methyl 2-[4-iodo-3,5-bis(trifluoromethyl)phenyl]acetate
CID 134638468
1-bromo-5-fluoro-2-iodo-3-(trifluoromethyl)benzene
CID 46735226
2-[1-(aminomethyl)cyclopropyl]-6-(trifluoromethyl)benzene-1,4-diol
CID 117369613
3,5-bis(trifluoromethyl)phenol;dichlorozirconium
CID 174355043
4-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)phenol
CID 84685342

Frequently Asked Questions

What is the IUPAC name of 4-iodo-3,5-bis(trifluoromethyl)phenol?
The IUPAC name of 4-iodo-3,5-bis(trifluoromethyl)phenol (CID 134639186) is 4-iodo-3,5-bis(trifluoromethyl)phenol.
What is the SMILES notation for 4-iodo-3,5-bis(trifluoromethyl)phenol?
The canonical SMILES for 4-iodo-3,5-bis(trifluoromethyl)phenol is Oc1cc(C(F)(F)F)c(I)c(C(F)(F)F)c1.
What is the InChIKey of 4-iodo-3,5-bis(trifluoromethyl)phenol?
The InChIKey is YBQRRXZSSPJLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6IO/c9-7(10,11)4-1-3(16)2-5(6(4)15)8(12,13)14/h1-2,16H.
What are the key properties of 4-iodo-3,5-bis(trifluoromethyl)phenol?
4-iodo-3,5-bis(trifluoromethyl)phenol has a molecular weight of 356.00 g/mol, XLogP of 4.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3,5-bis(trifluoromethyl)phenol is sourced from PubChem (CID 134639186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).