1-[4-(1-bromoethyl)phenyl]-2,4-difluorobenzene

C14H11BrF2 — CID 21322621

IUPAC1-[4-(1-bromoethyl)phenyl]-2,4-difluorobenzene
SMILESCC(Br)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C14H11BrF2/c1-9(15)10-2-4-11(5-3-10)13-7-6-12(16)8-14(13)17/h2-9H,1H3
InChIKeyNHODQFRBEHVULY-UHFFFAOYSA-N
MW297.14 g/mol
LogP5.09
Rot. Bonds2

About 1-[4-(1-bromoethyl)phenyl]-2,4-difluorobenzene

1-[4-(1-bromoethyl)phenyl]-2,4-difluorobenzene (PubChem CID 21322621) has the molecular formula C14H11BrF2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 1-[4-(1-bromoethyl)phenyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[4-(1-bromoethyl)phenyl]-2,4-difluorobenzene
PubChem CID21322621
Molecular FormulaC14H11BrF2
Molecular Weight297.14 g/mol
Exact Mass296.00
IUPAC Name1-[4-(1-bromoethyl)phenyl]-2,4-difluorobenzene
SMILESCC(Br)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C14H11BrF2/c1-9(15)10-2-4-11(5-3-10)13-7-6-12(16)8-14(13)17/h2-9H,1H3
InChIKeyNHODQFRBEHVULY-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.14
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

magnesium;2,4-difluoro-1-(4-propan-2-ylphenyl)benzene;bromide
CID 88795663
4-(2,4-difluorophenyl)benzenethiol
CID 142871981
5-fluoro-2-(4-propan-2-ylphenyl)phenol
CID 83131035
bis(1,2-di(propan-2-yl)benzene);1-[3,4-di(propan-2-yl)phenyl]-2,4-difluorobenzene
CID 159499603
1-[bromo-(4-methylphenyl)methyl]-2,4-difluorobenzene
CID 63437391
[4-(2,4-difluorophenyl)phenyl]-dimethoxy-propan-2-yloxysilane
CID 90171280
4-(2,4-difluorophenyl)pyridine
CID 45036856
2,4-difluoro-1-(4-octylphenyl)benzene
CID 56633566
1-[3-(2,4-difluorophenyl)phenyl]-N-methylethanamine
CID 61034414
2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene
CID 165362771
2-[4-(2,4-difluorophenyl)phenyl]decane-1,1,1-triol
CID 172686688
2,4-difluoro-1-[4-(3-iodopropyl)phenyl]benzene
CID 25223670

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-bromoethyl)phenyl]-2,4-difluorobenzene?
The IUPAC name of 1-[4-(1-bromoethyl)phenyl]-2,4-difluorobenzene (CID 21322621) is 1-[4-(1-bromoethyl)phenyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[4-(1-bromoethyl)phenyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[4-(1-bromoethyl)phenyl]-2,4-difluorobenzene is CC(Br)c1ccc(-c2ccc(F)cc2F)cc1.
What is the InChIKey of 1-[4-(1-bromoethyl)phenyl]-2,4-difluorobenzene?
The InChIKey is NHODQFRBEHVULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2/c1-9(15)10-2-4-11(5-3-10)13-7-6-12(16)8-14(13)17/h2-9H,1H3.
What are the key properties of 1-[4-(1-bromoethyl)phenyl]-2,4-difluorobenzene?
1-[4-(1-bromoethyl)phenyl]-2,4-difluorobenzene has a molecular weight of 297.14 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-bromoethyl)phenyl]-2,4-difluorobenzene is sourced from PubChem (CID 21322621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).