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

C15H14BrF — CID 19917644

IUPAC1-bromo-2-fluoro-4-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C15H14BrF/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(16)15(17)10-13/h4-10H,2-3H2,1H3
InChIKeyZFMGWDOHMFHCRB-UHFFFAOYSA-N
MW293.18 g/mol
LogP5.21
Rot. Bonds3

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

1-bromo-2-fluoro-4-(4-propylphenyl)benzene (PubChem CID 19917644) has the molecular formula C15H14BrF and a molecular weight of 293.18 g/mol. Its IUPAC name is 1-bromo-2-fluoro-4-(4-propylphenyl)benzene.

Molecular Properties

Compound Name1-bromo-2-fluoro-4-(4-propylphenyl)benzene
PubChem CID19917644
Molecular FormulaC15H14BrF
Molecular Weight293.18 g/mol
Exact Mass292.03
IUPAC Name1-bromo-2-fluoro-4-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C15H14BrF/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(16)15(17)10-13/h4-10H,2-3H2,1H3
InChIKeyZFMGWDOHMFHCRB-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-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 59933450
[2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]-trimethylsilane
CID 11002971
1,3-difluoro-5-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)benzene
CID 86196386
fluoromethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 161382729
2-fluoro-1-pentyl-4-(4-propylphenyl)benzene
CID 67842368
ethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 144658313
2-fluoro-4-(4-propylphenyl)benzonitrile
CID 15085130
1-fluoro-2,3-dimethyl-5-(4-propylphenyl)benzene
CID 143260820
1-[2-fluoro-4-(4-propylphenyl)phenyl]-N-methylmethanamine
CID 63424766
2,6-difluoro-4-[2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]aniline
CID 134427958
2-fluoro-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzonitrile
CID 14766020
4-bromo-2-fluoro-1-(4-propylphenyl)benzene
CID 22717506

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluoro-4-(4-propylphenyl)benzene?
The IUPAC name of 1-bromo-2-fluoro-4-(4-propylphenyl)benzene (CID 19917644) is 1-bromo-2-fluoro-4-(4-propylphenyl)benzene.
What is the SMILES notation for 1-bromo-2-fluoro-4-(4-propylphenyl)benzene?
The canonical SMILES for 1-bromo-2-fluoro-4-(4-propylphenyl)benzene is CCCc1ccc(-c2ccc(Br)c(F)c2)cc1.
What is the InChIKey of 1-bromo-2-fluoro-4-(4-propylphenyl)benzene?
The InChIKey is ZFMGWDOHMFHCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(16)15(17)10-13/h4-10H,2-3H2,1H3.
What are the key properties of 1-bromo-2-fluoro-4-(4-propylphenyl)benzene?
1-bromo-2-fluoro-4-(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 1-bromo-2-fluoro-4-(4-propylphenyl)benzene is sourced from PubChem (CID 19917644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).