1-(2-bromophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol

C11H8BrF7O — CID 156765992

IUPAC1-(2-bromophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol
SMILESOC(CC(F)(F)C(F)(F)C(F)(F)F)c1ccccc1Br
InChIInChI=1S/C11H8BrF7O/c12-7-4-2-1-3-6(7)8(20)5-9(13,14)10(15,16)11(17,18)19/h1-4,8,20H,5H2
InChIKeyZTPUBGPOOYEXEO-UHFFFAOYSA-N
MW369.07 g/mol
LogP4.71
Rot. Bonds4

About 1-(2-bromophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol

1-(2-bromophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol (PubChem CID 156765992) has the molecular formula C11H8BrF7O and a molecular weight of 369.07 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol
PubChem CID156765992
Molecular FormulaC11H8BrF7O
Molecular Weight369.07 g/mol
Exact Mass367.96
IUPAC Name1-(2-bromophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol
SMILESOC(CC(F)(F)C(F)(F)C(F)(F)F)c1ccccc1Br
InChIInChI=1S/C11H8BrF7O/c12-7-4-2-1-3-6(7)8(20)5-9(13,14)10(15,16)11(17,18)19/h1-4,8,20H,5H2
InChIKeyZTPUBGPOOYEXEO-UHFFFAOYSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.07
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol?
The IUPAC name of 1-(2-bromophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol (CID 156765992) is 1-(2-bromophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol.
What is the SMILES notation for 1-(2-bromophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol?
The canonical SMILES for 1-(2-bromophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol is OC(CC(F)(F)C(F)(F)C(F)(F)F)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol?
The InChIKey is ZTPUBGPOOYEXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF7O/c12-7-4-2-1-3-6(7)8(20)5-9(13,14)10(15,16)11(17,18)19/h1-4,8,20H,5H2.
What are the key properties of 1-(2-bromophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol?
1-(2-bromophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol has a molecular weight of 369.07 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol is sourced from PubChem (CID 156765992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).