5-(1-bromodecyl)-2-fluoro-1,3-dimethylbenzene

C18H28BrF — CID 65427554

IUPAC5-(1-bromodecyl)-2-fluoro-1,3-dimethylbenzene
SMILESCCCCCCCCCC(Br)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C18H28BrF/c1-4-5-6-7-8-9-10-11-17(19)16-12-14(2)18(20)15(3)13-16/h12-13,17H,4-11H2,1-3H3
InChIKeyFKJSWVGDTWSUOH-UHFFFAOYSA-N
MW343.32 g/mol
LogP7.02
Rot. Bonds9

About 5-(1-bromodecyl)-2-fluoro-1,3-dimethylbenzene

5-(1-bromodecyl)-2-fluoro-1,3-dimethylbenzene (PubChem CID 65427554) has the molecular formula C18H28BrF and a molecular weight of 343.32 g/mol. Its IUPAC name is 5-(1-bromodecyl)-2-fluoro-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-(1-bromodecyl)-2-fluoro-1,3-dimethylbenzene
PubChem CID65427554
Molecular FormulaC18H28BrF
Molecular Weight343.32 g/mol
Exact Mass342.14
IUPAC Name5-(1-bromodecyl)-2-fluoro-1,3-dimethylbenzene
SMILESCCCCCCCCCC(Br)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C18H28BrF/c1-4-5-6-7-8-9-10-11-17(19)16-12-14(2)18(20)15(3)13-16/h12-13,17H,4-11H2,1-3H3
InChIKeyFKJSWVGDTWSUOH-UHFFFAOYSA-N
XLogP7.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.32
LogP ≤ 57.02
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

5-(1-chlorononyl)-2-fluoro-1,3-dimethylbenzene
CID 65427553
1-(4-fluoro-3,5-dimethylphenyl)-N-methyldecan-1-amine
CID 65448790
1-(1-bromododecyl)-4-fluorobenzene
CID 65427740
1-(1-bromooctyl)-2,4-difluoro-5-methylbenzene
CID 79731208
4-(1-bromononyl)-2-fluoro-1-methoxybenzene
CID 65426024
1-(1-bromooctyl)-4-methylbenzene
CID 63437569
1-(1-bromohexyl)-4-fluorobenzene
CID 63439344
2-(1-bromononyl)-1,3,5-trimethylbenzene
CID 65428123
1-(1-bromooctyl)-4,5-dimethoxy-2-methylbenzene
CID 63443348
1-(1-bromodecyl)-4-propan-2-ylbenzene
CID 65426216
4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene
CID 23336050
1-(1-bromoheptyl)-4-chlorobenzene
CID 114753552

Frequently Asked Questions

What is the IUPAC name of 5-(1-bromodecyl)-2-fluoro-1,3-dimethylbenzene?
The IUPAC name of 5-(1-bromodecyl)-2-fluoro-1,3-dimethylbenzene (CID 65427554) is 5-(1-bromodecyl)-2-fluoro-1,3-dimethylbenzene.
What is the SMILES notation for 5-(1-bromodecyl)-2-fluoro-1,3-dimethylbenzene?
The canonical SMILES for 5-(1-bromodecyl)-2-fluoro-1,3-dimethylbenzene is CCCCCCCCCC(Br)c1cc(C)c(F)c(C)c1.
What is the InChIKey of 5-(1-bromodecyl)-2-fluoro-1,3-dimethylbenzene?
The InChIKey is FKJSWVGDTWSUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrF/c1-4-5-6-7-8-9-10-11-17(19)16-12-14(2)18(20)15(3)13-16/h12-13,17H,4-11H2,1-3H3.
What are the key properties of 5-(1-bromodecyl)-2-fluoro-1,3-dimethylbenzene?
5-(1-bromodecyl)-2-fluoro-1,3-dimethylbenzene has a molecular weight of 343.32 g/mol, XLogP of 7.02, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromodecyl)-2-fluoro-1,3-dimethylbenzene is sourced from PubChem (CID 65427554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).