1-bromo-4-[4-(difluoromethyl)phenyl]benzene

C13H9BrF2 — CID 85090252

IUPAC1-bromo-4-[4-(difluoromethyl)phenyl]benzene
SMILESFC(F)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H9BrF2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8,13H
InChIKeyMJLRFDNORDTZHP-UHFFFAOYSA-N
MW283.12 g/mol
LogP5.05
Rot. Bonds2

About 1-bromo-4-[4-(difluoromethyl)phenyl]benzene

1-bromo-4-[4-(difluoromethyl)phenyl]benzene (PubChem CID 85090252) has the molecular formula C13H9BrF2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 1-bromo-4-[4-(difluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[4-(difluoromethyl)phenyl]benzene
PubChem CID85090252
Molecular FormulaC13H9BrF2
Molecular Weight283.12 g/mol
Exact Mass281.99
IUPAC Name1-bromo-4-[4-(difluoromethyl)phenyl]benzene
SMILESFC(F)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H9BrF2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8,13H
InChIKeyMJLRFDNORDTZHP-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.12
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R)-1-[4-(4-bromophenyl)phenyl]-2,2-difluoroethanol
CID 15942068
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
tetrakis(1-bromo-4-(4-bromophenyl)benzene) disulfide
CID 173034951
CID 156792861
CID 156792861
(1R,2R)-1,2-bis(4-bromophenyl)ethane-1,2-diol
CID 11046931
4-[4-(difluoromethyl)phenyl]benzaldehyde
CID 146027072
4-[4-(difluoromethyl)phenyl]-N,N-dimethylaniline
CID 132579488
1-[4-[4-(difluoromethyl)phenyl]phenyl]ethanone
CID 22760371
1-(4-bromophenyl)-1-fluoropropan-2-amine
CID 105490420
4-(difluoromethyl)benzenethiol
CID 19436147
1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene
CID 151204294
(4-bromophenyl)methanediamine
CID 68740698

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[4-(difluoromethyl)phenyl]benzene?
The IUPAC name of 1-bromo-4-[4-(difluoromethyl)phenyl]benzene (CID 85090252) is 1-bromo-4-[4-(difluoromethyl)phenyl]benzene.
What is the SMILES notation for 1-bromo-4-[4-(difluoromethyl)phenyl]benzene?
The canonical SMILES for 1-bromo-4-[4-(difluoromethyl)phenyl]benzene is FC(F)c1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-[4-(difluoromethyl)phenyl]benzene?
The InChIKey is MJLRFDNORDTZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8,13H.
What are the key properties of 1-bromo-4-[4-(difluoromethyl)phenyl]benzene?
1-bromo-4-[4-(difluoromethyl)phenyl]benzene has a molecular weight of 283.12 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[4-(difluoromethyl)phenyl]benzene is sourced from PubChem (CID 85090252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).