2-bromo-5-fluoro-1,3-dipropylbenzene

C12H16BrF — CID 137443449

IUPAC2-bromo-5-fluoro-1,3-dipropylbenzene
SMILESCCCc1cc(F)cc(CCC)c1Br
InChIInChI=1S/C12H16BrF/c1-3-5-9-7-11(14)8-10(6-4-2)12(9)13/h7-8H,3-6H2,1-2H3
InChIKeyAGUXAVNLWAWODQ-UHFFFAOYSA-N
MW259.16 g/mol
LogP4.49
Rot. Bonds4

About 2-bromo-5-fluoro-1,3-dipropylbenzene

2-bromo-5-fluoro-1,3-dipropylbenzene (PubChem CID 137443449) has the molecular formula C12H16BrF and a molecular weight of 259.16 g/mol. Its IUPAC name is 2-bromo-5-fluoro-1,3-dipropylbenzene.

Molecular Properties

Compound Name2-bromo-5-fluoro-1,3-dipropylbenzene
PubChem CID137443449
Molecular FormulaC12H16BrF
Molecular Weight259.16 g/mol
Exact Mass258.04
IUPAC Name2-bromo-5-fluoro-1,3-dipropylbenzene
SMILESCCCc1cc(F)cc(CCC)c1Br
InChIInChI=1S/C12H16BrF/c1-3-5-9-7-11(14)8-10(6-4-2)12(9)13/h7-8H,3-6H2,1-2H3
InChIKeyAGUXAVNLWAWODQ-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-fluoro-2,6-dipropylaniline
CID 137443416
1,2-dibromo-3-ethyl-5-fluorobenzene
CID 118830275
1,5-difluoro-2-methoxy-3-propylbenzene
CID 176962400
4-fluoro-2-propylaniline
CID 23348947
4-fluoro-1-iodo-2-propylbenzene
CID 126738396
1,3-difluoro-5-propylbenzene;fluoromethane
CID 143588669
ethane;5-fluoro-2-propylphenol
CID 143012210
4,6-dipropylbenzene-1,3-diol
CID 70496109
1,5-dibromo-2-methyl-4-propylbenzene
CID 91476014
4-bromo-5-butyl-2-propylphenol
CID 118092192
7-bromo-5-fluoro-3-pentyl-1-benzofuran
CID 22144746
4-(2-bromo-5-fluoro-3-methoxyphenyl)butanoic acid
CID 117470028

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-1,3-dipropylbenzene?
The IUPAC name of 2-bromo-5-fluoro-1,3-dipropylbenzene (CID 137443449) is 2-bromo-5-fluoro-1,3-dipropylbenzene.
What is the SMILES notation for 2-bromo-5-fluoro-1,3-dipropylbenzene?
The canonical SMILES for 2-bromo-5-fluoro-1,3-dipropylbenzene is CCCc1cc(F)cc(CCC)c1Br.
What is the InChIKey of 2-bromo-5-fluoro-1,3-dipropylbenzene?
The InChIKey is AGUXAVNLWAWODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF/c1-3-5-9-7-11(14)8-10(6-4-2)12(9)13/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-bromo-5-fluoro-1,3-dipropylbenzene?
2-bromo-5-fluoro-1,3-dipropylbenzene has a molecular weight of 259.16 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-1,3-dipropylbenzene is sourced from PubChem (CID 137443449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).