4-bromo-2-fluoro-1-propan-2-ylbenzene

C9H10BrF — CID 21051092

IUPAC4-bromo-2-fluoro-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(Br)cc1F
InChIInChI=1S/C9H10BrF/c1-6(2)8-4-3-7(10)5-9(8)11/h3-6H,1-2H3
InChIKeyPAYWIMMOVUPBHF-UHFFFAOYSA-N
MW217.08 g/mol
LogP3.71
Rot. Bonds1

About 4-bromo-2-fluoro-1-propan-2-ylbenzene

4-bromo-2-fluoro-1-propan-2-ylbenzene (PubChem CID 21051092) has the molecular formula C9H10BrF and a molecular weight of 217.08 g/mol. Its IUPAC name is 4-bromo-2-fluoro-1-propan-2-ylbenzene.

Molecular Properties

Compound Name4-bromo-2-fluoro-1-propan-2-ylbenzene
PubChem CID21051092
Molecular FormulaC9H10BrF
Molecular Weight217.08 g/mol
Exact Mass215.99
IUPAC Name4-bromo-2-fluoro-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(Br)cc1F
InChIInChI=1S/C9H10BrF/c1-6(2)8-4-3-7(10)5-9(8)11/h3-6H,1-2H3
InChIKeyPAYWIMMOVUPBHF-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.08
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 129371245
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CID 82973231
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline
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2-(4-bromo-2-fluorophenyl)propanoic acid
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2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene
CID 58823318
4-bromo-2-fluoro-1-[1-[2-(3-fluoro-4-propan-2-ylphenyl)cyclopropyl]propan-2-yl]benzene
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4-bromo-1-[bromo-(4-bromophenyl)methyl]-2-fluorobenzene
CID 63438984
2-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol
CID 115347554
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CID 82964200

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-1-propan-2-ylbenzene?
The IUPAC name of 4-bromo-2-fluoro-1-propan-2-ylbenzene (CID 21051092) is 4-bromo-2-fluoro-1-propan-2-ylbenzene.
What is the SMILES notation for 4-bromo-2-fluoro-1-propan-2-ylbenzene?
The canonical SMILES for 4-bromo-2-fluoro-1-propan-2-ylbenzene is CC(C)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-1-propan-2-ylbenzene?
The InChIKey is PAYWIMMOVUPBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF/c1-6(2)8-4-3-7(10)5-9(8)11/h3-6H,1-2H3.
What are the key properties of 4-bromo-2-fluoro-1-propan-2-ylbenzene?
4-bromo-2-fluoro-1-propan-2-ylbenzene has a molecular weight of 217.08 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-1-propan-2-ylbenzene is sourced from PubChem (CID 21051092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).