1-(2-bromo-6-fluorophenyl)-2-propylcyclopropan-1-ol

C12H14BrFO — CID 114560911

IUPAC1-(2-bromo-6-fluorophenyl)-2-propylcyclopropan-1-ol
SMILESCCCC1CC1(O)c1c(F)cccc1Br
InChIInChI=1S/C12H14BrFO/c1-2-4-8-7-12(8,15)11-9(13)5-3-6-10(11)14/h3,5-6,8,15H,2,4,7H2,1H3
InChIKeyMZBMWMKYQNQCQY-UHFFFAOYSA-N
MW273.14 g/mol
LogP3.60
Rot. Bonds3

About 1-(2-bromo-6-fluorophenyl)-2-propylcyclopropan-1-ol

1-(2-bromo-6-fluorophenyl)-2-propylcyclopropan-1-ol (PubChem CID 114560911) has the molecular formula C12H14BrFO and a molecular weight of 273.14 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-2-propylcyclopropan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-2-propylcyclopropan-1-ol
PubChem CID114560911
Molecular FormulaC12H14BrFO
Molecular Weight273.14 g/mol
Exact Mass272.02
IUPAC Name1-(2-bromo-6-fluorophenyl)-2-propylcyclopropan-1-ol
SMILESCCCC1CC1(O)c1c(F)cccc1Br
InChIInChI=1S/C12H14BrFO/c1-2-4-8-7-12(8,15)11-9(13)5-3-6-10(11)14/h3,5-6,8,15H,2,4,7H2,1H3
InChIKeyMZBMWMKYQNQCQY-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-propylcyclopropan-1-ol?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-propylcyclopropan-1-ol (CID 114560911) is 1-(2-bromo-6-fluorophenyl)-2-propylcyclopropan-1-ol.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-2-propylcyclopropan-1-ol?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-2-propylcyclopropan-1-ol is CCCC1CC1(O)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-2-propylcyclopropan-1-ol?
The InChIKey is MZBMWMKYQNQCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO/c1-2-4-8-7-12(8,15)11-9(13)5-3-6-10(11)14/h3,5-6,8,15H,2,4,7H2,1H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-2-propylcyclopropan-1-ol?
1-(2-bromo-6-fluorophenyl)-2-propylcyclopropan-1-ol has a molecular weight of 273.14 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-2-propylcyclopropan-1-ol is sourced from PubChem (CID 114560911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).