1-(4-bromo-3-fluorophenyl)-2-ethylcyclopropan-1-ol

C11H12BrFO — CID 79333273

IUPAC1-(4-bromo-3-fluorophenyl)-2-ethylcyclopropan-1-ol
SMILESCCC1CC1(O)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H12BrFO/c1-2-7-6-11(7,14)8-3-4-9(12)10(13)5-8/h3-5,7,14H,2,6H2,1H3
InChIKeyQIDLXOIZTVFLBA-UHFFFAOYSA-N
MW259.12 g/mol
LogP3.21
Rot. Bonds2

About 1-(4-bromo-3-fluorophenyl)-2-ethylcyclopropan-1-ol

1-(4-bromo-3-fluorophenyl)-2-ethylcyclopropan-1-ol (PubChem CID 79333273) has the molecular formula C11H12BrFO and a molecular weight of 259.12 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-2-ethylcyclopropan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-2-ethylcyclopropan-1-ol
PubChem CID79333273
Molecular FormulaC11H12BrFO
Molecular Weight259.12 g/mol
Exact Mass258.01
IUPAC Name1-(4-bromo-3-fluorophenyl)-2-ethylcyclopropan-1-ol
SMILESCCC1CC1(O)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H12BrFO/c1-2-7-6-11(7,14)8-3-4-9(12)10(13)5-8/h3-5,7,14H,2,6H2,1H3
InChIKeyQIDLXOIZTVFLBA-UHFFFAOYSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-ethylcyclopropan-1-ol?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-ethylcyclopropan-1-ol (CID 79333273) is 1-(4-bromo-3-fluorophenyl)-2-ethylcyclopropan-1-ol.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-2-ethylcyclopropan-1-ol?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-2-ethylcyclopropan-1-ol is CCC1CC1(O)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-2-ethylcyclopropan-1-ol?
The InChIKey is QIDLXOIZTVFLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO/c1-2-7-6-11(7,14)8-3-4-9(12)10(13)5-8/h3-5,7,14H,2,6H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-2-ethylcyclopropan-1-ol?
1-(4-bromo-3-fluorophenyl)-2-ethylcyclopropan-1-ol has a molecular weight of 259.12 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-2-ethylcyclopropan-1-ol is sourced from PubChem (CID 79333273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).