1-(3-bromo-3-cyclopropylpropyl)-2,4-difluorobenzene

C12H13BrF2 — CID 63358358

IUPAC1-(3-bromo-3-cyclopropylpropyl)-2,4-difluorobenzene
SMILESFc1ccc(CCC(Br)C2CC2)c(F)c1
InChIInChI=1S/C12H13BrF2/c13-11(8-1-2-8)6-4-9-3-5-10(14)7-12(9)15/h3,5,7-8,11H,1-2,4,6H2
InChIKeyXELOWNKEBRFSKS-UHFFFAOYSA-N
MW275.14 g/mol
LogP4.07
Rot. Bonds4

About 1-(3-bromo-3-cyclopropylpropyl)-2,4-difluorobenzene

1-(3-bromo-3-cyclopropylpropyl)-2,4-difluorobenzene (PubChem CID 63358358) has the molecular formula C12H13BrF2 and a molecular weight of 275.14 g/mol. Its IUPAC name is 1-(3-bromo-3-cyclopropylpropyl)-2,4-difluorobenzene.

Molecular Properties

Compound Name1-(3-bromo-3-cyclopropylpropyl)-2,4-difluorobenzene
PubChem CID63358358
Molecular FormulaC12H13BrF2
Molecular Weight275.14 g/mol
Exact Mass274.02
IUPAC Name1-(3-bromo-3-cyclopropylpropyl)-2,4-difluorobenzene
SMILESFc1ccc(CCC(Br)C2CC2)c(F)c1
InChIInChI=1S/C12H13BrF2/c13-11(8-1-2-8)6-4-9-3-5-10(14)7-12(9)15/h3,5,7-8,11H,1-2,4,6H2
InChIKeyXELOWNKEBRFSKS-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 54.07
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

1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-1-amine
CID 113390146
2-(3-bromo-3-cyclopropylpropyl)-1,3-difluorobenzene
CID 64508326
1-(2-bromo-3-cyclobutylpropyl)-2,4-difluorobenzene
CID 103166568
1-cyclopropyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 62196245
4-[3-(2,4-difluorophenyl)propyl]piperidine
CID 21180653
4-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 81009481
1-(2,4-difluorophenyl)-4,4-dimethylpentan-3-ol
CID 62197542
4-[3-(2,4-difluorophenyl)propyl]piperidine;hydrochloride
CID 21180652
1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene
CID 18610850
4-(4-bromo-4-cyclopropylbutyl)-2-chloro-1-fluorobenzene
CID 103041712
1-[2-(2,4-difluorophenyl)ethyl]-3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine;hydrochloride
CID 11654750
1-cyclohexyl-2-(2,4-difluorophenyl)ethanol
CID 62195897

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-3-cyclopropylpropyl)-2,4-difluorobenzene?
The IUPAC name of 1-(3-bromo-3-cyclopropylpropyl)-2,4-difluorobenzene (CID 63358358) is 1-(3-bromo-3-cyclopropylpropyl)-2,4-difluorobenzene.
What is the SMILES notation for 1-(3-bromo-3-cyclopropylpropyl)-2,4-difluorobenzene?
The canonical SMILES for 1-(3-bromo-3-cyclopropylpropyl)-2,4-difluorobenzene is Fc1ccc(CCC(Br)C2CC2)c(F)c1.
What is the InChIKey of 1-(3-bromo-3-cyclopropylpropyl)-2,4-difluorobenzene?
The InChIKey is XELOWNKEBRFSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2/c13-11(8-1-2-8)6-4-9-3-5-10(14)7-12(9)15/h3,5,7-8,11H,1-2,4,6H2.
What are the key properties of 1-(3-bromo-3-cyclopropylpropyl)-2,4-difluorobenzene?
1-(3-bromo-3-cyclopropylpropyl)-2,4-difluorobenzene has a molecular weight of 275.14 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-3-cyclopropylpropyl)-2,4-difluorobenzene is sourced from PubChem (CID 63358358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).