2-(4-bromo-3-chloro-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C9H3BrClF7O — CID 121303141

IUPAC2-(4-bromo-3-chloro-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ccc(Br)c(Cl)c1F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H3BrClF7O/c10-4-2-1-3(6(12)5(4)11)7(19,8(13,14)15)9(16,17)18/h1-2,19H
InChIKeyJLUXXEQQXHENFG-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.55
Rot. Bonds1

About 2-(4-bromo-3-chloro-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(4-bromo-3-chloro-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 121303141) has the molecular formula C9H3BrClF7O and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-(4-bromo-3-chloro-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-3-chloro-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID121303141
Molecular FormulaC9H3BrClF7O
Molecular Weight375.47 g/mol
Exact Mass373.89
IUPAC Name2-(4-bromo-3-chloro-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ccc(Br)c(Cl)c1F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H3BrClF7O/c10-4-2-1-3(6(12)5(4)11)7(19,8(13,14)15)9(16,17)18/h1-2,19H
InChIKeyJLUXXEQQXHENFG-UHFFFAOYSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chloro-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(4-bromo-3-chloro-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 121303141) is 2-(4-bromo-3-chloro-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(4-bromo-3-chloro-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(4-bromo-3-chloro-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(c1ccc(Br)c(Cl)c1F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(4-bromo-3-chloro-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is JLUXXEQQXHENFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrClF7O/c10-4-2-1-3(6(12)5(4)11)7(19,8(13,14)15)9(16,17)18/h1-2,19H.
What are the key properties of 2-(4-bromo-3-chloro-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(4-bromo-3-chloro-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 375.47 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-chloro-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 121303141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).