1-bromo-3-[difluoro(phenyl)methyl]-5-methylbenzene

C14H11BrF2 — CID 176801252

IUPAC1-bromo-3-[difluoro(phenyl)methyl]-5-methylbenzene
SMILESCc1cc(Br)cc(C(F)(F)c2ccccc2)c1
InChIInChI=1S/C14H11BrF2/c1-10-7-12(9-13(15)8-10)14(16,17)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyHWXLUMNIFVAXEX-UHFFFAOYSA-N
MW297.14 g/mol
LogP4.90
Rot. Bonds2

About 1-bromo-3-[difluoro(phenyl)methyl]-5-methylbenzene

1-bromo-3-[difluoro(phenyl)methyl]-5-methylbenzene (PubChem CID 176801252) has the molecular formula C14H11BrF2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 1-bromo-3-[difluoro(phenyl)methyl]-5-methylbenzene.

Molecular Properties

Compound Name1-bromo-3-[difluoro(phenyl)methyl]-5-methylbenzene
PubChem CID176801252
Molecular FormulaC14H11BrF2
Molecular Weight297.14 g/mol
Exact Mass296.00
IUPAC Name1-bromo-3-[difluoro(phenyl)methyl]-5-methylbenzene
SMILESCc1cc(Br)cc(C(F)(F)c2ccccc2)c1
InChIInChI=1S/C14H11BrF2/c1-10-7-12(9-13(15)8-10)14(16,17)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyHWXLUMNIFVAXEX-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-bromo-5-methylphenyl)-1-phenylethanol
CID 171366314
1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
CID 143856845
1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
CID 14938913
1-bromo-3-methyl-5-(trifluoromethyl)benzene;3-methyl-5-(trifluoromethyl)benzoic acid
CID 160510157
1-bromo-3-(2-chloropropan-2-yl)-5-methylbenzene
CID 159521418
2-(3-bromo-5-methylphenyl)propan-2-amine
CID 83710324
1-bromo-3-tert-butyl-5-methylbenzene;methoxymethane
CID 174322408
(2S)-2-amino-2-(3-bromo-5-methylphenyl)propanoic acid
CID 130618665
tert-butylbenzene;1-tert-butyl-3,5-dimethylbenzene
CID 165052129
tert-butylbenzene;1,3,5-trimethylbenzene
CID 173429948
[3-methyl-5-(trifluoromethyl)phenyl]-diphenylphosphane
CID 19764736
1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[difluoro(phenyl)methyl]-5-methylbenzene?
The IUPAC name of 1-bromo-3-[difluoro(phenyl)methyl]-5-methylbenzene (CID 176801252) is 1-bromo-3-[difluoro(phenyl)methyl]-5-methylbenzene.
What is the SMILES notation for 1-bromo-3-[difluoro(phenyl)methyl]-5-methylbenzene?
The canonical SMILES for 1-bromo-3-[difluoro(phenyl)methyl]-5-methylbenzene is Cc1cc(Br)cc(C(F)(F)c2ccccc2)c1.
What is the InChIKey of 1-bromo-3-[difluoro(phenyl)methyl]-5-methylbenzene?
The InChIKey is HWXLUMNIFVAXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2/c1-10-7-12(9-13(15)8-10)14(16,17)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 1-bromo-3-[difluoro(phenyl)methyl]-5-methylbenzene?
1-bromo-3-[difluoro(phenyl)methyl]-5-methylbenzene has a molecular weight of 297.14 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[difluoro(phenyl)methyl]-5-methylbenzene is sourced from PubChem (CID 176801252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).