1-(4-bromo-5-chloro-2-fluorophenyl)cyclopropan-1-ol

C9H7BrClFO — CID 84807666

IUPAC1-(4-bromo-5-chloro-2-fluorophenyl)cyclopropan-1-ol
SMILESOC1(c2cc(Cl)c(Br)cc2F)CC1
InChIInChI=1S/C9H7BrClFO/c10-6-4-8(12)5(3-7(6)11)9(13)1-2-9/h3-4,13H,1-2H2
InChIKeyDFVLZJJJZZSYSZ-UHFFFAOYSA-N
MW265.51 g/mol
LogP3.22
Rot. Bonds1

About 1-(4-bromo-5-chloro-2-fluorophenyl)cyclopropan-1-ol

1-(4-bromo-5-chloro-2-fluorophenyl)cyclopropan-1-ol (PubChem CID 84807666) has the molecular formula C9H7BrClFO and a molecular weight of 265.51 g/mol. Its IUPAC name is 1-(4-bromo-5-chloro-2-fluorophenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-5-chloro-2-fluorophenyl)cyclopropan-1-ol
PubChem CID84807666
Molecular FormulaC9H7BrClFO
Molecular Weight265.51 g/mol
Exact Mass263.94
IUPAC Name1-(4-bromo-5-chloro-2-fluorophenyl)cyclopropan-1-ol
SMILESOC1(c2cc(Cl)c(Br)cc2F)CC1
InChIInChI=1S/C9H7BrClFO/c10-6-4-8(12)5(3-7(6)11)9(13)1-2-9/h3-4,13H,1-2H2
InChIKeyDFVLZJJJZZSYSZ-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.51
LogP ≤ 53.22
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 1-(4-bromo-5-chloro-2-fluorophenyl)cyclopropan-1-ol?
The IUPAC name of 1-(4-bromo-5-chloro-2-fluorophenyl)cyclopropan-1-ol (CID 84807666) is 1-(4-bromo-5-chloro-2-fluorophenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(4-bromo-5-chloro-2-fluorophenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(4-bromo-5-chloro-2-fluorophenyl)cyclopropan-1-ol is OC1(c2cc(Cl)c(Br)cc2F)CC1.
What is the InChIKey of 1-(4-bromo-5-chloro-2-fluorophenyl)cyclopropan-1-ol?
The InChIKey is DFVLZJJJZZSYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClFO/c10-6-4-8(12)5(3-7(6)11)9(13)1-2-9/h3-4,13H,1-2H2.
What are the key properties of 1-(4-bromo-5-chloro-2-fluorophenyl)cyclopropan-1-ol?
1-(4-bromo-5-chloro-2-fluorophenyl)cyclopropan-1-ol has a molecular weight of 265.51 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chloro-2-fluorophenyl)cyclopropan-1-ol is sourced from PubChem (CID 84807666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).