1-bromo-3-butan-2-yl-5-fluorobenzene

C10H12BrF — CID 130384481

IUPAC1-bromo-3-butan-2-yl-5-fluorobenzene
SMILESCCC(C)c1cc(F)cc(Br)c1
InChIInChI=1S/C10H12BrF/c1-3-7(2)8-4-9(11)6-10(12)5-8/h4-7H,3H2,1-2H3
InChIKeyKWWCRWWUFRVRGV-UHFFFAOYSA-N
MW231.11 g/mol
LogP4.10
Rot. Bonds2

About 1-bromo-3-butan-2-yl-5-fluorobenzene

1-bromo-3-butan-2-yl-5-fluorobenzene (PubChem CID 130384481) has the molecular formula C10H12BrF and a molecular weight of 231.11 g/mol. Its IUPAC name is 1-bromo-3-butan-2-yl-5-fluorobenzene.

Molecular Properties

Compound Name1-bromo-3-butan-2-yl-5-fluorobenzene
PubChem CID130384481
Molecular FormulaC10H12BrF
Molecular Weight231.11 g/mol
Exact Mass230.01
IUPAC Name1-bromo-3-butan-2-yl-5-fluorobenzene
SMILESCCC(C)c1cc(F)cc(Br)c1
InChIInChI=1S/C10H12BrF/c1-3-7(2)8-4-9(11)6-10(12)5-8/h4-7H,3H2,1-2H3
InChIKeyKWWCRWWUFRVRGV-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.11
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dibromo-5-butan-2-ylbenzene
CID 54340883
(2S)-2-(3-bromo-5-fluorophenyl)propan-1-ol
CID 118056013
1-(3-bromo-5-fluorophenyl)-2-methylbutan-1-amine
CID 79446725
(2S)-2-[1-(3-bromo-5-fluorophenyl)propylamino]propan-1-ol
CID 103921760
1-bromo-4-[(2S)-butan-2-yl]-2-fluorobenzene
CID 153332149
1-(3-butan-2-yl-5-fluorophenyl)ethanone
CID 143473995
N-[(3-bromo-5-fluorophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 66423866
(1S)-1-(3-bromo-5-fluorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171223533
(1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol
CID 130982390
1-(3-bromo-5-fluorophenyl)octan-1-amine
CID 66423474
1-butan-2-yl-3-(difluoromethylsulfonyl)-5-fluorobenzene
CID 176956896
(1R)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130039777

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-butan-2-yl-5-fluorobenzene?
The IUPAC name of 1-bromo-3-butan-2-yl-5-fluorobenzene (CID 130384481) is 1-bromo-3-butan-2-yl-5-fluorobenzene.
What is the SMILES notation for 1-bromo-3-butan-2-yl-5-fluorobenzene?
The canonical SMILES for 1-bromo-3-butan-2-yl-5-fluorobenzene is CCC(C)c1cc(F)cc(Br)c1.
What is the InChIKey of 1-bromo-3-butan-2-yl-5-fluorobenzene?
The InChIKey is KWWCRWWUFRVRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF/c1-3-7(2)8-4-9(11)6-10(12)5-8/h4-7H,3H2,1-2H3.
What are the key properties of 1-bromo-3-butan-2-yl-5-fluorobenzene?
1-bromo-3-butan-2-yl-5-fluorobenzene has a molecular weight of 231.11 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-butan-2-yl-5-fluorobenzene is sourced from PubChem (CID 130384481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).