2-(4-bromo-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C9H4BrClF6O — CID 121303180

IUPAC2-(4-bromo-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ccc(Br)c(Cl)c1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H4BrClF6O/c10-5-2-1-4(3-6(5)11)7(18,8(12,13)14)9(15,16)17/h1-3,18H
InChIKeySRCLWIKIGOYTLO-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.41
Rot. Bonds1

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

2-(4-bromo-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 121303180) has the molecular formula C9H4BrClF6O and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-(4-bromo-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID121303180
Molecular FormulaC9H4BrClF6O
Molecular Weight357.48 g/mol
Exact Mass355.90
IUPAC Name2-(4-bromo-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ccc(Br)c(Cl)c1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H4BrClF6O/c10-5-2-1-4(3-6(5)11)7(18,8(12,13)14)9(15,16)17/h1-3,18H
InChIKeySRCLWIKIGOYTLO-UHFFFAOYSA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(4-bromo-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 121303180) is 2-(4-bromo-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(4-bromo-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(4-bromo-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(c1ccc(Br)c(Cl)c1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(4-bromo-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is SRCLWIKIGOYTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClF6O/c10-5-2-1-4(3-6(5)11)7(18,8(12,13)14)9(15,16)17/h1-3,18H.
What are the key properties of 2-(4-bromo-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(4-bromo-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 357.48 g/mol, XLogP of 4.41, 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-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 121303180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).