1-(4-bromopentan-2-yl)-4-fluorobenzene

C11H14BrF — CID 64721249

IUPAC1-(4-bromopentan-2-yl)-4-fluorobenzene
SMILESCC(Br)CC(C)c1ccc(F)cc1
InChIInChI=1S/C11H14BrF/c1-8(7-9(2)12)10-3-5-11(13)6-4-10/h3-6,8-9H,7H2,1-2H3
InChIKeyAVNCOXWGWSPXLF-UHFFFAOYSA-N
MW245.14 g/mol
LogP4.10
Rot. Bonds3

About 1-(4-bromopentan-2-yl)-4-fluorobenzene

1-(4-bromopentan-2-yl)-4-fluorobenzene (PubChem CID 64721249) has the molecular formula C11H14BrF and a molecular weight of 245.14 g/mol. Its IUPAC name is 1-(4-bromopentan-2-yl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(4-bromopentan-2-yl)-4-fluorobenzene
PubChem CID64721249
Molecular FormulaC11H14BrF
Molecular Weight245.14 g/mol
Exact Mass244.03
IUPAC Name1-(4-bromopentan-2-yl)-4-fluorobenzene
SMILESCC(Br)CC(C)c1ccc(F)cc1
InChIInChI=1S/C11H14BrF/c1-8(7-9(2)12)10-3-5-11(13)6-4-10/h3-6,8-9H,7H2,1-2H3
InChIKeyAVNCOXWGWSPXLF-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.14
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(4-bromopentan-2-yl)-4-fluorobenzene 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-(4-bromopentan-2-yl)-4-methylbenzene
CID 64718589
1-(1-bromo-3-methylbutan-2-yl)-4-fluorobenzene
CID 79018716
1-fluoro-4-[(2S)-4-methylhexan-2-yl]benzene
CID 118425163
1-butan-2-yl-4-fluorobenzene
CID 11829648
(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
ethane;1-fluoro-4-(1-methoxypropan-2-yl)benzene
CID 143926197
2-(4-bromopentan-2-yl)-1,4-difluorobenzene
CID 64720370
(2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride
CID 170910887
tris[2-(4-fluorophenyl)propyl]alumane;hydrate
CID 141059383
1-fluoro-4-pent-4-yn-2-ylbenzene
CID 83930939
1-(4,4-dimethylpentan-2-yl)-4-fluorobenzene
CID 157107563
1-fluoro-4-[(2S)-1-methoxypropan-2-yl]benzene
CID 118373947

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromopentan-2-yl)-4-fluorobenzene?
The IUPAC name of 1-(4-bromopentan-2-yl)-4-fluorobenzene (CID 64721249) is 1-(4-bromopentan-2-yl)-4-fluorobenzene.
What is the SMILES notation for 1-(4-bromopentan-2-yl)-4-fluorobenzene?
The canonical SMILES for 1-(4-bromopentan-2-yl)-4-fluorobenzene is CC(Br)CC(C)c1ccc(F)cc1.
What is the InChIKey of 1-(4-bromopentan-2-yl)-4-fluorobenzene?
The InChIKey is AVNCOXWGWSPXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF/c1-8(7-9(2)12)10-3-5-11(13)6-4-10/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 1-(4-bromopentan-2-yl)-4-fluorobenzene?
1-(4-bromopentan-2-yl)-4-fluorobenzene has a molecular weight of 245.14 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromopentan-2-yl)-4-fluorobenzene is sourced from PubChem (CID 64721249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).