1-(2-bromo-6-fluorophenyl)-3-methylidenepentan-1-ol

C12H14BrFO — CID 114885556

IUPAC1-(2-bromo-6-fluorophenyl)-3-methylidenepentan-1-ol
SMILESC=C(CC)CC(O)c1c(F)cccc1Br
InChIInChI=1S/C12H14BrFO/c1-3-8(2)7-11(15)12-9(13)5-4-6-10(12)14/h4-6,11,15H,2-3,7H2,1H3
InChIKeyXINLTAMCHRYFST-UHFFFAOYSA-N
MW273.14 g/mol
LogP3.98
Rot. Bonds4

About 1-(2-bromo-6-fluorophenyl)-3-methylidenepentan-1-ol

1-(2-bromo-6-fluorophenyl)-3-methylidenepentan-1-ol (PubChem CID 114885556) has the molecular formula C12H14BrFO and a molecular weight of 273.14 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-3-methylidenepentan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-3-methylidenepentan-1-ol
PubChem CID114885556
Molecular FormulaC12H14BrFO
Molecular Weight273.14 g/mol
Exact Mass272.02
IUPAC Name1-(2-bromo-6-fluorophenyl)-3-methylidenepentan-1-ol
SMILESC=C(CC)CC(O)c1c(F)cccc1Br
InChIInChI=1S/C12H14BrFO/c1-3-8(2)7-11(15)12-9(13)5-4-6-10(12)14/h4-6,11,15H,2-3,7H2,1H3
InChIKeyXINLTAMCHRYFST-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-difluorophenyl)-3-methylidenepentan-1-ol
CID 79522636
1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
1-(2-bromo-6-fluorophenyl)-2-ethoxyethanol
CID 114885640
1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol
CID 114885678
1-(2-bromo-6-fluorophenyl)-2-propan-2-yloxyethanol
CID 114885627
1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol
CID 114885662
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanol
CID 114885692
(3R)-3-(2-bromo-6-fluorophenyl)-3-hydroxypropanenitrile
CID 131172063
1-(2-bromo-6-fluorophenyl)ethanol;ethane
CID 166081961
1-(2-bromo-6-fluorophenyl)-2-methylpentan-1-ol
CID 107893072
1-(2-bromo-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107048204
1-(2,6-difluorophenyl)-4-methylidenehexan-2-amine
CID 105005725

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-3-methylidenepentan-1-ol?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-3-methylidenepentan-1-ol (CID 114885556) is 1-(2-bromo-6-fluorophenyl)-3-methylidenepentan-1-ol.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-3-methylidenepentan-1-ol?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-3-methylidenepentan-1-ol is C=C(CC)CC(O)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-3-methylidenepentan-1-ol?
The InChIKey is XINLTAMCHRYFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO/c1-3-8(2)7-11(15)12-9(13)5-4-6-10(12)14/h4-6,11,15H,2-3,7H2,1H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-3-methylidenepentan-1-ol?
1-(2-bromo-6-fluorophenyl)-3-methylidenepentan-1-ol has a molecular weight of 273.14 g/mol, XLogP of 3.98, 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)-3-methylidenepentan-1-ol is sourced from PubChem (CID 114885556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).