1-bromo-3-fluoro-5-pentoxybenzene

C11H14BrFO — CID 79015676

IUPAC1-bromo-3-fluoro-5-pentoxybenzene
SMILESCCCCCOc1cc(F)cc(Br)c1
InChIInChI=1S/C11H14BrFO/c1-2-3-4-5-14-11-7-9(12)6-10(13)8-11/h6-8H,2-5H2,1H3
InChIKeyKDNNOSINXLPCRK-UHFFFAOYSA-N
MW261.13 g/mol
LogP4.16
Rot. Bonds5

About 1-bromo-3-fluoro-5-pentoxybenzene

1-bromo-3-fluoro-5-pentoxybenzene (PubChem CID 79015676) has the molecular formula C11H14BrFO and a molecular weight of 261.13 g/mol. Its IUPAC name is 1-bromo-3-fluoro-5-pentoxybenzene.

Molecular Properties

Compound Name1-bromo-3-fluoro-5-pentoxybenzene
PubChem CID79015676
Molecular FormulaC11H14BrFO
Molecular Weight261.13 g/mol
Exact Mass260.02
IUPAC Name1-bromo-3-fluoro-5-pentoxybenzene
SMILESCCCCCOc1cc(F)cc(Br)c1
InChIInChI=1S/C11H14BrFO/c1-2-3-4-5-14-11-7-9(12)6-10(13)8-11/h6-8H,2-5H2,1H3
InChIKeyKDNNOSINXLPCRK-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromo-5-fluorophenoxy)-N-ethylpropan-1-amine
CID 81331914
6-(3-bromo-5-fluorophenoxy)-N-methylhexan-1-amine
CID 81325393
3-fluoro-5-pentoxybenzenethiol
CID 91655201
2-(3-bromo-5-fluorophenoxy)-N,N-diethylethanamine
CID 81331369
1-bromo-3-(2-ethylsulfanylethoxy)-5-fluorobenzene
CID 115967756
3-bromo-5-octoxyaniline
CID 103588114
1,3-dibromo-5-propoxybenzene
CID 58270933
1-bromo-3-fluoro-5-(heptoxymethyl)benzene
CID 79701684
1-bromo-3-fluoro-5-(octoxymethyl)benzene
CID 79702505
1-(3-fluoro-5-pentoxyphenyl)ethanol
CID 91657933
(1S)-1-(3-fluoro-5-pentoxyphenyl)ethanol
CID 97294401
bromozinc(1+);1-fluoro-3-pentoxybenzene-5-ide
CID 146002008

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluoro-5-pentoxybenzene?
The IUPAC name of 1-bromo-3-fluoro-5-pentoxybenzene (CID 79015676) is 1-bromo-3-fluoro-5-pentoxybenzene.
What is the SMILES notation for 1-bromo-3-fluoro-5-pentoxybenzene?
The canonical SMILES for 1-bromo-3-fluoro-5-pentoxybenzene is CCCCCOc1cc(F)cc(Br)c1.
What is the InChIKey of 1-bromo-3-fluoro-5-pentoxybenzene?
The InChIKey is KDNNOSINXLPCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO/c1-2-3-4-5-14-11-7-9(12)6-10(13)8-11/h6-8H,2-5H2,1H3.
What are the key properties of 1-bromo-3-fluoro-5-pentoxybenzene?
1-bromo-3-fluoro-5-pentoxybenzene has a molecular weight of 261.13 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-fluoro-5-pentoxybenzene is sourced from PubChem (CID 79015676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).