1-(2-bromo-5-iodophenyl)-5,5,5-trifluoropentan-1-ol

C11H11BrF3IO — CID 114027276

IUPAC1-(2-bromo-5-iodophenyl)-5,5,5-trifluoropentan-1-ol
SMILESOC(CCCC(F)(F)F)c1cc(I)ccc1Br
InChIInChI=1S/C11H11BrF3IO/c12-9-4-3-7(16)6-8(9)10(17)2-1-5-11(13,14)15/h3-4,6,10,17H,1-2,5H2
InChIKeyXBBIJJKEWRGCSL-UHFFFAOYSA-N
MW423.01 g/mol
LogP4.82
Rot. Bonds4

About 1-(2-bromo-5-iodophenyl)-5,5,5-trifluoropentan-1-ol

1-(2-bromo-5-iodophenyl)-5,5,5-trifluoropentan-1-ol (PubChem CID 114027276) has the molecular formula C11H11BrF3IO and a molecular weight of 423.01 g/mol. Its IUPAC name is 1-(2-bromo-5-iodophenyl)-5,5,5-trifluoropentan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-5-iodophenyl)-5,5,5-trifluoropentan-1-ol
PubChem CID114027276
Molecular FormulaC11H11BrF3IO
Molecular Weight423.01 g/mol
Exact Mass421.90
IUPAC Name1-(2-bromo-5-iodophenyl)-5,5,5-trifluoropentan-1-ol
SMILESOC(CCCC(F)(F)F)c1cc(I)ccc1Br
InChIInChI=1S/C11H11BrF3IO/c12-9-4-3-7(16)6-8(9)10(17)2-1-5-11(13,14)15/h3-4,6,10,17H,1-2,5H2
InChIKeyXBBIJJKEWRGCSL-UHFFFAOYSA-N
XLogP4.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.01
LogP ≤ 54.82
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

1-(2-bromo-5-iodophenyl)-5,5-dimethylhexan-1-amine
CID 114210895
1-(5-bromo-2-methylphenyl)-5,5,5-trifluoropentan-1-ol
CID 115828321
1-(3-bromo-2-methylphenyl)-5,5,5-trifluoropentan-1-ol
CID 115828367
1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoropentan-1-ol
CID 115828339
1-(2-bromo-5-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114027282
4-bromo-3-[(1S)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol
CID 171163907
5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol
CID 115515409
(1R)-1-(2-bromo-5-hydroxyphenyl)ethane-1,2-diol
CID 130649535
5,5,5-trifluoro-1-(2-fluoro-4-methylphenyl)pentan-1-ol
CID 115828331
5,5,5-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]pentan-1-ol
CID 115515699
1-(3-bromo-4-methoxyphenyl)-5,5,5-trifluoropentan-1-ol
CID 115515338
5,5,5-trifluoro-1-(3-fluorophenyl)pentan-1-ol
CID 115515411

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-iodophenyl)-5,5,5-trifluoropentan-1-ol?
The IUPAC name of 1-(2-bromo-5-iodophenyl)-5,5,5-trifluoropentan-1-ol (CID 114027276) is 1-(2-bromo-5-iodophenyl)-5,5,5-trifluoropentan-1-ol.
What is the SMILES notation for 1-(2-bromo-5-iodophenyl)-5,5,5-trifluoropentan-1-ol?
The canonical SMILES for 1-(2-bromo-5-iodophenyl)-5,5,5-trifluoropentan-1-ol is OC(CCCC(F)(F)F)c1cc(I)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-iodophenyl)-5,5,5-trifluoropentan-1-ol?
The InChIKey is XBBIJJKEWRGCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3IO/c12-9-4-3-7(16)6-8(9)10(17)2-1-5-11(13,14)15/h3-4,6,10,17H,1-2,5H2.
What are the key properties of 1-(2-bromo-5-iodophenyl)-5,5,5-trifluoropentan-1-ol?
1-(2-bromo-5-iodophenyl)-5,5,5-trifluoropentan-1-ol has a molecular weight of 423.01 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-iodophenyl)-5,5,5-trifluoropentan-1-ol is sourced from PubChem (CID 114027276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).