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

C11H14BrFO — CID 112631059

IUPAC1-(2-bromo-6-fluorophenyl)pentan-1-ol
SMILESCCCCC(O)c1c(F)cccc1Br
InChIInChI=1S/C11H14BrFO/c1-2-3-7-10(14)11-8(12)5-4-6-9(11)13/h4-6,10,14H,2-3,7H2,1H3
InChIKeyDWOGMGVHBCUAKD-UHFFFAOYSA-N
MW261.13 g/mol
LogP3.81
Rot. Bonds4

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

1-(2-bromo-6-fluorophenyl)pentan-1-ol (PubChem CID 112631059) has the molecular formula C11H14BrFO and a molecular weight of 261.13 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)pentan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)pentan-1-ol
PubChem CID112631059
Molecular FormulaC11H14BrFO
Molecular Weight261.13 g/mol
Exact Mass260.02
IUPAC Name1-(2-bromo-6-fluorophenyl)pentan-1-ol
SMILESCCCCC(O)c1c(F)cccc1Br
InChIInChI=1S/C11H14BrFO/c1-2-3-7-10(14)11-8(12)5-4-6-9(11)13/h4-6,10,14H,2-3,7H2,1H3
InChIKeyDWOGMGVHBCUAKD-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bromo-6-fluorophenyl)pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Bromobenzyl alcohol
CID 72850
p-Bromobenzhydryl alcohol
CID 98221
(3-Bromophenyl)(phenyl)methanol
CID 285827
1-(4-Bromophenyl)ethanol
CID 95352
1-(4-Fluorophenyl)ethanol
CID 73946
1-(2-Bromophenyl)ethanol
CID 95455
1-(3-Bromophenyl)ethanol
CID 98479
(4-Bromophenyl)(cyclopropyl)methanol
CID 123566
2-(2-Bromophenyl)propan-2-ol
CID 329527
(2-Bromo-4-fluorophenyl)methanol
CID 2773347
3-Fluoro-alpha-methylbenzenemethanol
CID 95348
2,6-Difluoro-alpha-methylbenzyl alcohol
CID 5012075

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)pentan-1-ol?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)pentan-1-ol (CID 112631059) is 1-(2-bromo-6-fluorophenyl)pentan-1-ol.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)pentan-1-ol?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)pentan-1-ol is CCCCC(O)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)pentan-1-ol?
The InChIKey is DWOGMGVHBCUAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO/c1-2-3-7-10(14)11-8(12)5-4-6-9(11)13/h4-6,10,14H,2-3,7H2,1H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)pentan-1-ol?
1-(2-bromo-6-fluorophenyl)pentan-1-ol has a molecular weight of 261.13 g/mol, XLogP of 3.81, 4 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)pentan-1-ol is sourced from PubChem (CID 112631059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).