(4-bromo-3-chloro-2-fluorophenyl)-dicyclopropylmethanol

C13H13BrClFO — CID 112743426

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-dicyclopropylmethanol
SMILESOC(c1ccc(Br)c(Cl)c1F)(C1CC1)C1CC1
InChIInChI=1S/C13H13BrClFO/c14-10-6-5-9(12(16)11(10)15)13(17,7-1-2-7)8-3-4-8/h5-8,17H,1-4H2
InChIKeyAQZFQAVAZINNAI-UHFFFAOYSA-N
MW319.60 g/mol
LogP4.25
Rot. Bonds3

About (4-bromo-3-chloro-2-fluorophenyl)-dicyclopropylmethanol

(4-bromo-3-chloro-2-fluorophenyl)-dicyclopropylmethanol (PubChem CID 112743426) has the molecular formula C13H13BrClFO and a molecular weight of 319.60 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-dicyclopropylmethanol.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-dicyclopropylmethanol
PubChem CID112743426
Molecular FormulaC13H13BrClFO
Molecular Weight319.60 g/mol
Exact Mass317.98
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-dicyclopropylmethanol
SMILESOC(c1ccc(Br)c(Cl)c1F)(C1CC1)C1CC1
InChIInChI=1S/C13H13BrClFO/c14-10-6-5-9(12(16)11(10)15)13(17,7-1-2-7)8-3-4-8/h5-8,17H,1-4H2
InChIKeyAQZFQAVAZINNAI-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.60
LogP ≤ 54.25
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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Related Compounds

1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 106761227
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-bromo-2-chlorophenyl)ethanol
CID 106761513
2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol
CID 106763335
3-(4-bromo-3-chloro-2-fluorophenyl)cyclopent-2-en-1-amine
CID 106763480
(4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol
CID 106761352
2-(4-bromo-3-chloro-2-fluorophenyl)-1-phenylbutan-2-ol
CID 106761419
2-(4-bromo-3-chloro-2-fluorophenyl)-1-(propylamino)propan-2-ol
CID 106763756
2-(4-bromo-3-chloro-2-fluorophenyl)cyclobutane-1-carboxylic acid
CID 106763779
1-bromo-2-chloro-4-(4-chloro-2-methylpentan-2-yl)-3-fluorobenzene
CID 106763531
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methoxy-1-phenylethanol
CID 106761585
1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol
CID 106765072
3-(4-bromo-3-chloro-2-fluorophenyl)-N-tert-butyl-3-methylbutan-1-amine
CID 106763830

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-dicyclopropylmethanol?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-dicyclopropylmethanol (CID 112743426) is (4-bromo-3-chloro-2-fluorophenyl)-dicyclopropylmethanol.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-dicyclopropylmethanol?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-dicyclopropylmethanol is OC(c1ccc(Br)c(Cl)c1F)(C1CC1)C1CC1.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-dicyclopropylmethanol?
The InChIKey is AQZFQAVAZINNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClFO/c14-10-6-5-9(12(16)11(10)15)13(17,7-1-2-7)8-3-4-8/h5-8,17H,1-4H2.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-dicyclopropylmethanol?
(4-bromo-3-chloro-2-fluorophenyl)-dicyclopropylmethanol has a molecular weight of 319.60 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-dicyclopropylmethanol is sourced from PubChem (CID 112743426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).