1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene

C8H4BrF5 — CID 640457

IUPAC1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C(F)(F)Br)cc1
InChIInChI=1S/C8H4BrF5/c9-7(10,11)5-1-3-6(4-2-5)8(12,13)14/h1-4H
InChIKeyRBDYYYRPLMEYGE-UHFFFAOYSA-N
MW275.01 g/mol
LogP4.15
Rot. Bonds1

About 1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene

1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene (PubChem CID 640457) has the molecular formula C8H4BrF5 and a molecular weight of 275.01 g/mol. Its IUPAC name is 1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene
PubChem CID640457
Molecular FormulaC8H4BrF5
Molecular Weight275.01 g/mol
Exact Mass273.94
IUPAC Name1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C(F)(F)Br)cc1
InChIInChI=1S/C8H4BrF5/c9-7(10,11)5-1-3-6(4-2-5)8(12,13)14/h1-4H
InChIKeyRBDYYYRPLMEYGE-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.01
LogP ≤ 54.15
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

[4-[bromo(difluoro)methyl]phenyl]-bis[4-(trifluoromethyl)phenyl]phosphane
CID 164667183
CID 154390518
CID 154390518
1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene
CID 154308793
[4-(trifluoromethyl)phenyl]alumane
CID 173025651
4-(trifluoromethyl)(18F)phenol
CID 71660610
1-[chloro-bis[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzene
CID 14292463
4-(trifluoromethyl)benzenethiol;pentahydrofluoride
CID 175479742
CID 136728558
CID 136728558
1-(trifluoromethyl)-4-[2-[4-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene
CID 86099970
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
sodium 1-methanidyl-4-(trifluoromethyl)benzene
CID 71382851

Frequently Asked Questions

What is the IUPAC name of 1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene (CID 640457) is 1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(C(F)(F)Br)cc1.
What is the InChIKey of 1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene?
The InChIKey is RBDYYYRPLMEYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF5/c9-7(10,11)5-1-3-6(4-2-5)8(12,13)14/h1-4H.
What are the key properties of 1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene?
1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene has a molecular weight of 275.01 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 640457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).