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

C15H19BrF2 — CID 63441829

IUPAC1-(1-bromo-3-cyclohexylpropyl)-2,4-difluorobenzene
SMILESFc1ccc(C(Br)CCC2CCCCC2)c(F)c1
InChIInChI=1S/C15H19BrF2/c16-14(9-6-11-4-2-1-3-5-11)13-8-7-12(17)10-15(13)18/h7-8,10-11,14H,1-6,9H2
InChIKeyMOJQLVPIFHIHEI-UHFFFAOYSA-N
MW317.22 g/mol
LogP5.76
Rot. Bonds4

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

1-(1-bromo-3-cyclohexylpropyl)-2,4-difluorobenzene (PubChem CID 63441829) has the molecular formula C15H19BrF2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 1-(1-bromo-3-cyclohexylpropyl)-2,4-difluorobenzene.

Molecular Properties

Compound Name1-(1-bromo-3-cyclohexylpropyl)-2,4-difluorobenzene
PubChem CID63441829
Molecular FormulaC15H19BrF2
Molecular Weight317.22 g/mol
Exact Mass316.06
IUPAC Name1-(1-bromo-3-cyclohexylpropyl)-2,4-difluorobenzene
SMILESFc1ccc(C(Br)CCC2CCCCC2)c(F)c1
InChIInChI=1S/C15H19BrF2/c16-14(9-6-11-4-2-1-3-5-11)13-8-7-12(17)10-15(13)18/h7-8,10-11,14H,1-6,9H2
InChIKeyMOJQLVPIFHIHEI-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.22
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(1-bromo-3-cyclohexylpropyl)-2,4-difluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-bromo-2-cyclohexylethyl)-2,4-difluorobenzene
CID 63442452
[2-bromo-2-(2,4-difluorophenyl)ethyl]cycloheptane
CID 114458717
3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol
CID 61088667
1-(1-bromo-3-cyclohexylpropyl)-2,4-dimethylbenzene
CID 63438485
2-bromo-1-(1-bromo-3-cyclohexylpropyl)-4-methoxybenzene
CID 63443780
1,4-dibromo-2-(1-bromo-3-cyclopentylpropyl)benzene
CID 55200090
[4-cyclohexyl-1-(2,4-difluorophenyl)butan-2-yl]hydrazine
CID 105291836
[3-cyclohexyl-1-(2,4,6-trifluorophenyl)propyl]hydrazine
CID 114193435
2-(1-bromo-3-cyclohexylpropyl)-1,3-difluoro-5-methoxybenzene
CID 63435242
1-(2-amino-5-fluorophenyl)-3-cyclohexylpropan-1-ol
CID 114192030
2-[3-bromo-3-(2,5-difluorophenyl)propyl]oxolane
CID 65158065
[2-bromo-2-(4-bromo-2,5-difluorophenyl)ethyl]cycloheptane
CID 114458768

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-3-cyclohexylpropyl)-2,4-difluorobenzene?
The IUPAC name of 1-(1-bromo-3-cyclohexylpropyl)-2,4-difluorobenzene (CID 63441829) is 1-(1-bromo-3-cyclohexylpropyl)-2,4-difluorobenzene.
What is the SMILES notation for 1-(1-bromo-3-cyclohexylpropyl)-2,4-difluorobenzene?
The canonical SMILES for 1-(1-bromo-3-cyclohexylpropyl)-2,4-difluorobenzene is Fc1ccc(C(Br)CCC2CCCCC2)c(F)c1.
What is the InChIKey of 1-(1-bromo-3-cyclohexylpropyl)-2,4-difluorobenzene?
The InChIKey is MOJQLVPIFHIHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF2/c16-14(9-6-11-4-2-1-3-5-11)13-8-7-12(17)10-15(13)18/h7-8,10-11,14H,1-6,9H2.
What are the key properties of 1-(1-bromo-3-cyclohexylpropyl)-2,4-difluorobenzene?
1-(1-bromo-3-cyclohexylpropyl)-2,4-difluorobenzene has a molecular weight of 317.22 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-3-cyclohexylpropyl)-2,4-difluorobenzene is sourced from PubChem (CID 63441829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).