1-bromo-3-[2-(bromomethyl)cyclopropyl]-2-fluorobenzene

C10H9Br2F — CID 131142311

IUPAC1-bromo-3-[2-(bromomethyl)cyclopropyl]-2-fluorobenzene
SMILESFc1c(Br)cccc1C1CC1CBr
InChIInChI=1S/C10H9Br2F/c11-5-6-4-8(6)7-2-1-3-9(12)10(7)13/h1-3,6,8H,4-5H2
InChIKeyGVTASGJJAIKIPZ-UHFFFAOYSA-N
MW307.99 g/mol
LogP4.09
Rot. Bonds2

About 1-bromo-3-[2-(bromomethyl)cyclopropyl]-2-fluorobenzene

1-bromo-3-[2-(bromomethyl)cyclopropyl]-2-fluorobenzene (PubChem CID 131142311) has the molecular formula C10H9Br2F and a molecular weight of 307.99 g/mol. Its IUPAC name is 1-bromo-3-[2-(bromomethyl)cyclopropyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-3-[2-(bromomethyl)cyclopropyl]-2-fluorobenzene
PubChem CID131142311
Molecular FormulaC10H9Br2F
Molecular Weight307.99 g/mol
Exact Mass305.91
IUPAC Name1-bromo-3-[2-(bromomethyl)cyclopropyl]-2-fluorobenzene
SMILESFc1c(Br)cccc1C1CC1CBr
InChIInChI=1S/C10H9Br2F/c11-5-6-4-8(6)7-2-1-3-9(12)10(7)13/h1-3,6,8H,4-5H2
InChIKeyGVTASGJJAIKIPZ-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.99
LogP ≤ 54.09
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

[2-(3-bromo-2-fluorophenyl)-4-ethylcyclohexyl]methanamine
CID 106646962
1-[2-(bromomethyl)cyclopropyl]-2-chlorobenzene
CID 81351751
N-[[2-(3-bromo-2-fluorophenyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 106647015
1-[2-(bromomethyl)cyclopropyl]-2-ethylbenzene
CID 81350852
1-bromo-3-(3-bromocyclopentyl)-2-fluorobenzene
CID 106646659
2-[2-(bromomethyl)cyclopropyl]benzonitrile
CID 107937162
[(1R,2R)-2-(2-bromophenyl)cyclopropyl]methanamine;hydrochloride
CID 44572752
1-[(1S,2S)-2-(2-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 94558414
2-bromo-5-[2-(bromomethyl)cyclopropyl]furan
CID 81351527
2-(3-bromo-2-fluorophenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 106646947
3-(3-bromo-2-fluorophenyl)morpholine
CID 83439764
1-[2-(3-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine
CID 114488832

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-(bromomethyl)cyclopropyl]-2-fluorobenzene?
The IUPAC name of 1-bromo-3-[2-(bromomethyl)cyclopropyl]-2-fluorobenzene (CID 131142311) is 1-bromo-3-[2-(bromomethyl)cyclopropyl]-2-fluorobenzene.
What is the SMILES notation for 1-bromo-3-[2-(bromomethyl)cyclopropyl]-2-fluorobenzene?
The canonical SMILES for 1-bromo-3-[2-(bromomethyl)cyclopropyl]-2-fluorobenzene is Fc1c(Br)cccc1C1CC1CBr.
What is the InChIKey of 1-bromo-3-[2-(bromomethyl)cyclopropyl]-2-fluorobenzene?
The InChIKey is GVTASGJJAIKIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2F/c11-5-6-4-8(6)7-2-1-3-9(12)10(7)13/h1-3,6,8H,4-5H2.
What are the key properties of 1-bromo-3-[2-(bromomethyl)cyclopropyl]-2-fluorobenzene?
1-bromo-3-[2-(bromomethyl)cyclopropyl]-2-fluorobenzene has a molecular weight of 307.99 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[2-(bromomethyl)cyclopropyl]-2-fluorobenzene is sourced from PubChem (CID 131142311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).