2-(3-bromo-6-chloro-2-fluorophenyl)propan-2-ol

C9H9BrClFO — CID 68808608

IUPAC2-(3-bromo-6-chloro-2-fluorophenyl)propan-2-ol
SMILESCC(C)(O)c1c(Cl)ccc(Br)c1F
InChIInChI=1S/C9H9BrClFO/c1-9(2,13)7-6(11)4-3-5(10)8(7)12/h3-4,13H,1-2H3
InChIKeyMORDRDCKWYTARF-UHFFFAOYSA-N
MW267.52 g/mol
LogP3.47
Rot. Bonds1

About 2-(3-bromo-6-chloro-2-fluorophenyl)propan-2-ol

2-(3-bromo-6-chloro-2-fluorophenyl)propan-2-ol (PubChem CID 68808608) has the molecular formula C9H9BrClFO and a molecular weight of 267.52 g/mol. Its IUPAC name is 2-(3-bromo-6-chloro-2-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-bromo-6-chloro-2-fluorophenyl)propan-2-ol
PubChem CID68808608
Molecular FormulaC9H9BrClFO
Molecular Weight267.52 g/mol
Exact Mass265.95
IUPAC Name2-(3-bromo-6-chloro-2-fluorophenyl)propan-2-ol
SMILESCC(C)(O)c1c(Cl)ccc(Br)c1F
InChIInChI=1S/C9H9BrClFO/c1-9(2,13)7-6(11)4-3-5(10)8(7)12/h3-4,13H,1-2H3
InChIKeyMORDRDCKWYTARF-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-6-chloro-2-fluorophenyl)propan-2-ol?
The IUPAC name of 2-(3-bromo-6-chloro-2-fluorophenyl)propan-2-ol (CID 68808608) is 2-(3-bromo-6-chloro-2-fluorophenyl)propan-2-ol.
What is the SMILES notation for 2-(3-bromo-6-chloro-2-fluorophenyl)propan-2-ol?
The canonical SMILES for 2-(3-bromo-6-chloro-2-fluorophenyl)propan-2-ol is CC(C)(O)c1c(Cl)ccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-6-chloro-2-fluorophenyl)propan-2-ol?
The InChIKey is MORDRDCKWYTARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClFO/c1-9(2,13)7-6(11)4-3-5(10)8(7)12/h3-4,13H,1-2H3.
What are the key properties of 2-(3-bromo-6-chloro-2-fluorophenyl)propan-2-ol?
2-(3-bromo-6-chloro-2-fluorophenyl)propan-2-ol has a molecular weight of 267.52 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-6-chloro-2-fluorophenyl)propan-2-ol is sourced from PubChem (CID 68808608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).