1-(3-bromo-5-fluorophenyl)-3-methylidenepentan-1-ol

C12H14BrFO — CID 66426020

IUPAC1-(3-bromo-5-fluorophenyl)-3-methylidenepentan-1-ol
SMILESC=C(CC)CC(O)c1cc(F)cc(Br)c1
InChIInChI=1S/C12H14BrFO/c1-3-8(2)4-12(15)9-5-10(13)7-11(14)6-9/h5-7,12,15H,2-4H2,1H3
InChIKeyIZAKDJYKCNDFEJ-UHFFFAOYSA-N
MW273.14 g/mol
LogP3.98
Rot. Bonds4

About 1-(3-bromo-5-fluorophenyl)-3-methylidenepentan-1-ol

1-(3-bromo-5-fluorophenyl)-3-methylidenepentan-1-ol (PubChem CID 66426020) has the molecular formula C12H14BrFO and a molecular weight of 273.14 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-3-methylidenepentan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-3-methylidenepentan-1-ol
PubChem CID66426020
Molecular FormulaC12H14BrFO
Molecular Weight273.14 g/mol
Exact Mass272.02
IUPAC Name1-(3-bromo-5-fluorophenyl)-3-methylidenepentan-1-ol
SMILESC=C(CC)CC(O)c1cc(F)cc(Br)c1
InChIInChI=1S/C12H14BrFO/c1-3-8(2)4-12(15)9-5-10(13)7-11(14)6-9/h5-7,12,15H,2-4H2,1H3
InChIKeyIZAKDJYKCNDFEJ-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-(3-bromo-5-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine
CID 66424843
1-(5-fluoro-3-pyridinyl)-3-methylidenepentan-1-ol
CID 105110755
1-(3-bromophenyl)-3-methylidenepentan-1-ol
CID 66044340
1-(3,5-dimethoxyphenyl)-3-methylidenepentan-1-ol
CID 115817579
2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
CID 79703067
1-(3-bromo-5-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 66424827
1-bromo-3-butan-2-yl-5-fluorobenzene
CID 130384481
[1-(4-bromo-2,6-difluorophenyl)-3-methylidenepentyl]hydrazine
CID 105320470
[1-(3-fluoro-5-methylphenyl)-3-methylidenepentyl]hydrazine
CID 105257527
(2S)-2-(3-bromo-5-fluorophenyl)propan-1-ol
CID 118056013
1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol
CID 115817551
1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373495

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-methylidenepentan-1-ol?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-methylidenepentan-1-ol (CID 66426020) is 1-(3-bromo-5-fluorophenyl)-3-methylidenepentan-1-ol.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-3-methylidenepentan-1-ol?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-3-methylidenepentan-1-ol is C=C(CC)CC(O)c1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-3-methylidenepentan-1-ol?
The InChIKey is IZAKDJYKCNDFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO/c1-3-8(2)4-12(15)9-5-10(13)7-11(14)6-9/h5-7,12,15H,2-4H2,1H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-3-methylidenepentan-1-ol?
1-(3-bromo-5-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-(3-bromo-5-fluorophenyl)-3-methylidenepentan-1-ol is sourced from PubChem (CID 66426020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).