4-[2-(bromomethyl)cyclopropyl]-1-fluoro-2-methylbenzene

C11H12BrF — CID 81358874

IUPAC4-[2-(bromomethyl)cyclopropyl]-1-fluoro-2-methylbenzene
SMILESCc1cc(C2CC2CBr)ccc1F
InChIInChI=1S/C11H12BrF/c1-7-4-8(2-3-11(7)13)10-5-9(10)6-12/h2-4,9-10H,5-6H2,1H3
InChIKeySHIHBEDWRCKWRT-UHFFFAOYSA-N
MW243.12 g/mol
LogP3.63
Rot. Bonds2

About 4-[2-(bromomethyl)cyclopropyl]-1-fluoro-2-methylbenzene

4-[2-(bromomethyl)cyclopropyl]-1-fluoro-2-methylbenzene (PubChem CID 81358874) has the molecular formula C11H12BrF and a molecular weight of 243.12 g/mol. Its IUPAC name is 4-[2-(bromomethyl)cyclopropyl]-1-fluoro-2-methylbenzene.

Molecular Properties

Compound Name4-[2-(bromomethyl)cyclopropyl]-1-fluoro-2-methylbenzene
PubChem CID81358874
Molecular FormulaC11H12BrF
Molecular Weight243.12 g/mol
Exact Mass242.01
IUPAC Name4-[2-(bromomethyl)cyclopropyl]-1-fluoro-2-methylbenzene
SMILESCc1cc(C2CC2CBr)ccc1F
InChIInChI=1S/C11H12BrF/c1-7-4-8(2-3-11(7)13)10-5-9(10)6-12/h2-4,9-10H,5-6H2,1H3
InChIKeySHIHBEDWRCKWRT-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.12
LogP ≤ 53.63
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-(4-fluoro-3-methylphenyl)cyclopropyl]methanamine
CID 62704549
4-[2-(bromomethyl)cyclopropyl]-2-chloro-1-fluorobenzene
CID 81351147
(1R)-2-(4-fluoro-3-methylphenyl)cyclopropan-1-amine
CID 70211695
4-[2-(bromomethyl)cyclopropyl]-1-chloro-2-fluorobenzene
CID 81350329
2-ethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-ol
CID 81416761
[2-(4-fluoro-3-methylphenyl)-4-propan-2-ylcyclohexyl]methanamine
CID 81011357
(2R)-2-(bromomethyl)-5-(4-fluoro-3-methylphenyl)oxolane
CID 89062578
1-[2-(4-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 62122616
1-[2-(bromomethyl)cyclopropyl]-4-(trifluoromethyl)benzene
CID 81358226
1-[2-(4-fluoro-3-methylphenyl)cyclopentyl]-N-methylmethanamine
CID 81034558
trans-(1S,2R)-2-(4-fluoro-3-methylphenyl)cyclohexan-1-ol
CID 26595178
3-(4-fluoro-3-methylphenyl)-N,2-dimethylcyclobutan-1-amine
CID 81418202

Frequently Asked Questions

What is the IUPAC name of 4-[2-(bromomethyl)cyclopropyl]-1-fluoro-2-methylbenzene?
The IUPAC name of 4-[2-(bromomethyl)cyclopropyl]-1-fluoro-2-methylbenzene (CID 81358874) is 4-[2-(bromomethyl)cyclopropyl]-1-fluoro-2-methylbenzene.
What is the SMILES notation for 4-[2-(bromomethyl)cyclopropyl]-1-fluoro-2-methylbenzene?
The canonical SMILES for 4-[2-(bromomethyl)cyclopropyl]-1-fluoro-2-methylbenzene is Cc1cc(C2CC2CBr)ccc1F.
What is the InChIKey of 4-[2-(bromomethyl)cyclopropyl]-1-fluoro-2-methylbenzene?
The InChIKey is SHIHBEDWRCKWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF/c1-7-4-8(2-3-11(7)13)10-5-9(10)6-12/h2-4,9-10H,5-6H2,1H3.
What are the key properties of 4-[2-(bromomethyl)cyclopropyl]-1-fluoro-2-methylbenzene?
4-[2-(bromomethyl)cyclopropyl]-1-fluoro-2-methylbenzene has a molecular weight of 243.12 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(bromomethyl)cyclopropyl]-1-fluoro-2-methylbenzene is sourced from PubChem (CID 81358874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).