1-(1-bromododecyl)-4-fluorobenzene

C18H28BrF — CID 65427740

IUPAC1-(1-bromododecyl)-4-fluorobenzene
SMILESCCCCCCCCCCCC(Br)c1ccc(F)cc1
InChIInChI=1S/C18H28BrF/c1-2-3-4-5-6-7-8-9-10-11-18(19)16-12-14-17(20)15-13-16/h12-15,18H,2-11H2,1H3
InChIKeyZDECWPYNRWAWAM-UHFFFAOYSA-N
MW343.32 g/mol
LogP7.18
Rot. Bonds11

About 1-(1-bromododecyl)-4-fluorobenzene

1-(1-bromododecyl)-4-fluorobenzene (PubChem CID 65427740) has the molecular formula C18H28BrF and a molecular weight of 343.32 g/mol. Its IUPAC name is 1-(1-bromododecyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(1-bromododecyl)-4-fluorobenzene
PubChem CID65427740
Molecular FormulaC18H28BrF
Molecular Weight343.32 g/mol
Exact Mass342.14
IUPAC Name1-(1-bromododecyl)-4-fluorobenzene
SMILESCCCCCCCCCCCC(Br)c1ccc(F)cc1
InChIInChI=1S/C18H28BrF/c1-2-3-4-5-6-7-8-9-10-11-18(19)16-12-14-17(20)15-13-16/h12-15,18H,2-11H2,1H3
InChIKeyZDECWPYNRWAWAM-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.32
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1-bromohexyl)-4-fluorobenzene
CID 63439344
1-(1-bromooctyl)-4-methylbenzene
CID 63437569
1-(1-bromodecyl)-4-propan-2-ylbenzene
CID 65426216
1-(1-bromoheptyl)-4-chlorobenzene
CID 114753552
1-(1-bromononyl)-4-butan-2-ylbenzene
CID 65426772
1-(1-bromoheptyl)-4-propylbenzene
CID 114753586
1-(1-bromoheptyl)-4-butylbenzene
CID 114753581
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
1-(1-bromohexyl)-4-ethylbenzene
CID 63440069
4-(1-bromononyl)-2-fluoro-1-methoxybenzene
CID 65426024
1-(1-chlorododecan-2-yl)-4-fluorobenzene
CID 79437415
5-(1-bromodecyl)-2-fluoro-1,3-dimethylbenzene
CID 65427554

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromododecyl)-4-fluorobenzene?
The IUPAC name of 1-(1-bromododecyl)-4-fluorobenzene (CID 65427740) is 1-(1-bromododecyl)-4-fluorobenzene.
What is the SMILES notation for 1-(1-bromododecyl)-4-fluorobenzene?
The canonical SMILES for 1-(1-bromododecyl)-4-fluorobenzene is CCCCCCCCCCCC(Br)c1ccc(F)cc1.
What is the InChIKey of 1-(1-bromododecyl)-4-fluorobenzene?
The InChIKey is ZDECWPYNRWAWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrF/c1-2-3-4-5-6-7-8-9-10-11-18(19)16-12-14-17(20)15-13-16/h12-15,18H,2-11H2,1H3.
What are the key properties of 1-(1-bromododecyl)-4-fluorobenzene?
1-(1-bromododecyl)-4-fluorobenzene has a molecular weight of 343.32 g/mol, XLogP of 7.18, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromododecyl)-4-fluorobenzene is sourced from PubChem (CID 65427740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).