4-bromo-2-fluoro-1-(4-propylphenyl)benzene

C15H14BrF — CID 22717506

IUPAC4-bromo-2-fluoro-1-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(Br)cc2F)cc1
InChIInChI=1S/C15H14BrF/c1-2-3-11-4-6-12(7-5-11)14-9-8-13(16)10-15(14)17/h4-10H,2-3H2,1H3
InChIKeyDNXBMIIAWYFUQJ-UHFFFAOYSA-N
MW293.18 g/mol
LogP5.21
Rot. Bonds3

About 4-bromo-2-fluoro-1-(4-propylphenyl)benzene

4-bromo-2-fluoro-1-(4-propylphenyl)benzene (PubChem CID 22717506) has the molecular formula C15H14BrF and a molecular weight of 293.18 g/mol. Its IUPAC name is 4-bromo-2-fluoro-1-(4-propylphenyl)benzene.

Molecular Properties

Compound Name4-bromo-2-fluoro-1-(4-propylphenyl)benzene
PubChem CID22717506
Molecular FormulaC15H14BrF
Molecular Weight293.18 g/mol
Exact Mass292.03
IUPAC Name4-bromo-2-fluoro-1-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(Br)cc2F)cc1
InChIInChI=1S/C15H14BrF/c1-2-3-11-4-6-12(7-5-11)14-9-8-13(16)10-15(14)17/h4-10H,2-3H2,1H3
InChIKeyDNXBMIIAWYFUQJ-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.18
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[4-(2-fluoro-4-propylphenyl)phenyl]ethanol
CID 134432733
2-fluoro-4-iodo-1-(4-propylphenyl)benzene
CID 150911795
2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
4-(2-fluoro-4-propylphenyl)phenol
CID 139457311
1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene
CID 71422219
fluoromethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 161382729
ethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 144658313
2-fluoro-4-[2-(4-methoxyphenyl)ethyl]-1-(4-propylphenyl)benzene
CID 19906916
1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 161123973
4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 118136047
2,6-difluoro-4-[2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]aniline
CID 134427958
1-[4-(4-bromo-2-fluorophenyl)phenyl]propan-1-one
CID 822002

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-1-(4-propylphenyl)benzene?
The IUPAC name of 4-bromo-2-fluoro-1-(4-propylphenyl)benzene (CID 22717506) is 4-bromo-2-fluoro-1-(4-propylphenyl)benzene.
What is the SMILES notation for 4-bromo-2-fluoro-1-(4-propylphenyl)benzene?
The canonical SMILES for 4-bromo-2-fluoro-1-(4-propylphenyl)benzene is CCCc1ccc(-c2ccc(Br)cc2F)cc1.
What is the InChIKey of 4-bromo-2-fluoro-1-(4-propylphenyl)benzene?
The InChIKey is DNXBMIIAWYFUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF/c1-2-3-11-4-6-12(7-5-11)14-9-8-13(16)10-15(14)17/h4-10H,2-3H2,1H3.
What are the key properties of 4-bromo-2-fluoro-1-(4-propylphenyl)benzene?
4-bromo-2-fluoro-1-(4-propylphenyl)benzene has a molecular weight of 293.18 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-1-(4-propylphenyl)benzene is sourced from PubChem (CID 22717506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).