1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(fluoromethyl)benzene

C8H4BrF5 — CID 14423019

IUPAC1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(fluoromethyl)benzene
SMILESFCc1c(F)c(F)c(CBr)c(F)c1F
InChIInChI=1S/C8H4BrF5/c9-1-3-5(11)7(13)4(2-10)8(14)6(3)12/h1-2H2
InChIKeyFQQPZCOVCKTZAJ-UHFFFAOYSA-N
MW275.01 g/mol
LogP3.61
Rot. Bonds2

About 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(fluoromethyl)benzene

1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(fluoromethyl)benzene (PubChem CID 14423019) has the molecular formula C8H4BrF5 and a molecular weight of 275.01 g/mol. Its IUPAC name is 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(fluoromethyl)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(fluoromethyl)benzene
PubChem CID14423019
Molecular FormulaC8H4BrF5
Molecular Weight275.01 g/mol
Exact Mass273.94
IUPAC Name1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(fluoromethyl)benzene
SMILESFCc1c(F)c(F)c(CBr)c(F)c1F
InChIInChI=1S/C8H4BrF5/c9-1-3-5(11)7(13)4(2-10)8(14)6(3)12/h1-2H2
InChIKeyFQQPZCOVCKTZAJ-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.01
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[4-(bromomethyl)-2,3,5,6-tetrafluorophenyl]azanium
CID 131875199
1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(tribromomethyl)benzene
CID 170603228
1,2,4,5-tetrafluoro-3-(fluoromethyl)-6-methylbenzene
CID 14423018
1-(bromomethyl)-2,4,6-trifluoro-3,5-dimethylbenzene
CID 146676084
1-(bromomethyl)-2,3,4,5-tetrafluoro-6-iodobenzene
CID 166444030
1-(bromomethyl)-4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorobenzene
CID 134627869
2,3-bis(bromomethyl)-1,4-difluorobenzene
CID 59382290
[2-(bromomethyl)-3-fluorophenyl]hydrazine
CID 131075605
bis[2-(bromomethyl)-3,4,5-trifluorophenyl]methanone
CID 139698700
1-(bromomethyl)-2,3,5,6-tetrafluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 118845186
2-(bromomethyl)-3-fluoro-4-(trifluoromethyl)aniline
CID 134630714
1,4-dibromo-3,5-difluoro-2-(fluoromethyl)benzene
CID 118836051

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(fluoromethyl)benzene?
The IUPAC name of 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(fluoromethyl)benzene (CID 14423019) is 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(fluoromethyl)benzene.
What is the SMILES notation for 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(fluoromethyl)benzene?
The canonical SMILES for 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(fluoromethyl)benzene is FCc1c(F)c(F)c(CBr)c(F)c1F.
What is the InChIKey of 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(fluoromethyl)benzene?
The InChIKey is FQQPZCOVCKTZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF5/c9-1-3-5(11)7(13)4(2-10)8(14)6(3)12/h1-2H2.
What are the key properties of 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(fluoromethyl)benzene?
1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(fluoromethyl)benzene has a molecular weight of 275.01 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(fluoromethyl)benzene is sourced from PubChem (CID 14423019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).