1-bromo-4-fluorobenzene;pentanoic acid

C11H14BrFO2 — CID 175420474

IUPAC1-bromo-4-fluorobenzene;pentanoic acid
SMILESCCCCC(=O)O.Fc1ccc(Br)cc1
InChIInChI=1S/C6H4BrF.C5H10O2/c7-5-1-3-6(8)4-2-5;1-2-3-4-5(6)7/h1-4H;2-4H2,1H3,(H,6,7)
InChIKeyIOFUSNQWRIFTLP-UHFFFAOYSA-N
MW277.13 g/mol
LogP3.85
Rot. Bonds3

About 1-bromo-4-fluorobenzene;pentanoic acid

1-bromo-4-fluorobenzene;pentanoic acid (PubChem CID 175420474) has the molecular formula C11H14BrFO2 and a molecular weight of 277.13 g/mol. Its IUPAC name is 1-bromo-4-fluorobenzene;pentanoic acid.

Molecular Properties

Compound Name1-bromo-4-fluorobenzene;pentanoic acid
PubChem CID175420474
Molecular FormulaC11H14BrFO2
Molecular Weight277.13 g/mol
Exact Mass276.02
IUPAC Name1-bromo-4-fluorobenzene;pentanoic acid
SMILESCCCCC(=O)O.Fc1ccc(Br)cc1
InChIInChI=1S/C6H4BrF.C5H10O2/c7-5-1-3-6(8)4-2-5;1-2-3-4-5(6)7/h1-4H;2-4H2,1H3,(H,6,7)
InChIKeyIOFUSNQWRIFTLP-UHFFFAOYSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 175173192
lanthanum;pentanoic acid
CID 88604988
CID 159436476
CID 159436476
pentanoic acid;silver
CID 87285302
ethane;pentanoic acid
CID 142198531
pentanoic acid;stannane
CID 173249748
4-(4-bromo-N-(4-fluorophenyl)sulfonylanilino)butanoic acid
CID 50890725
4-(4-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)butanoic acid
CID 50940550
1-(4-bromophenyl)pentan-1-one;2-fluoropropane
CID 143849337
acetic acid;pentanoic acid
CID 87061456
icosane;pentanoic acid
CID 159151393
hypochlorous acid;pentanoic acid
CID 157152267

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-fluorobenzene;pentanoic acid?
The IUPAC name of 1-bromo-4-fluorobenzene;pentanoic acid (CID 175420474) is 1-bromo-4-fluorobenzene;pentanoic acid.
What is the SMILES notation for 1-bromo-4-fluorobenzene;pentanoic acid?
The canonical SMILES for 1-bromo-4-fluorobenzene;pentanoic acid is CCCCC(=O)O.Fc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-fluorobenzene;pentanoic acid?
The InChIKey is IOFUSNQWRIFTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF.C5H10O2/c7-5-1-3-6(8)4-2-5;1-2-3-4-5(6)7/h1-4H;2-4H2,1H3,(H,6,7).
What are the key properties of 1-bromo-4-fluorobenzene;pentanoic acid?
1-bromo-4-fluorobenzene;pentanoic acid has a molecular weight of 277.13 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-fluorobenzene;pentanoic acid is sourced from PubChem (CID 175420474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).