1-decyl-4-iodobenzene tetrafluoroborate

C16H25BF4I- — CID 174595981

IUPAC1-decyl-4-iodobenzene tetrafluoroborate
SMILESCCCCCCCCCCc1ccc(I)cc1.F[B-](F)(F)F
InChIInChI=1S/C16H25I.BF4/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15;2-1(3,4)5/h11-14H,2-10H2,1H3;/q;-1
InChIKeyZZAPEOJIFZRHDX-UHFFFAOYSA-N
MW431.08 g/mol
LogP7.27
Rot. Bonds9

About 1-decyl-4-iodobenzene tetrafluoroborate

1-decyl-4-iodobenzene tetrafluoroborate (PubChem CID 174595981) has the molecular formula C16H25BF4I- and a molecular weight of 431.08 g/mol. Its IUPAC name is 1-decyl-4-iodobenzene tetrafluoroborate.

Molecular Properties

Compound Name1-decyl-4-iodobenzene tetrafluoroborate
PubChem CID174595981
Molecular FormulaC16H25BF4I-
Molecular Weight431.08 g/mol
Exact Mass431.10
IUPAC Name1-decyl-4-iodobenzene tetrafluoroborate
SMILESCCCCCCCCCCc1ccc(I)cc1.F[B-](F)(F)F
InChIInChI=1S/C16H25I.BF4/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15;2-1(3,4)5/h11-14H,2-10H2,1H3;/q;-1
InChIKeyZZAPEOJIFZRHDX-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.08
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-4-octadecylbenzene
CID 141122271
bis(1-dodecyl-4-iodobenzene);bis(trifluoromethanesulfonic acid)
CID 171930326
1-butyl-4-nonylbenzene
CID 59545302
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-butyl-4-hexylpyridin-1-ium tetrafluoroborate
CID 87903585
(4-nonylphenyl)phosphane;phosphane
CID 174846018
1-methyl-4-octylbenzene
CID 11052746
1-pentadecyl-4-phenylbenzene
CID 57166115
1-(2-bromoethyl)-4-decylbenzene
CID 70453406
(4-undecylphenyl)methanethiol
CID 152658546
1-bromo-4-dodecylbenzene
CID 15120506

Frequently Asked Questions

What is the IUPAC name of 1-decyl-4-iodobenzene tetrafluoroborate?
The IUPAC name of 1-decyl-4-iodobenzene tetrafluoroborate (CID 174595981) is 1-decyl-4-iodobenzene tetrafluoroborate.
What is the SMILES notation for 1-decyl-4-iodobenzene tetrafluoroborate?
The canonical SMILES for 1-decyl-4-iodobenzene tetrafluoroborate is CCCCCCCCCCc1ccc(I)cc1.F[B-](F)(F)F.
What is the InChIKey of 1-decyl-4-iodobenzene tetrafluoroborate?
The InChIKey is ZZAPEOJIFZRHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25I.BF4/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15;2-1(3,4)5/h11-14H,2-10H2,1H3;/q;-1.
What are the key properties of 1-decyl-4-iodobenzene tetrafluoroborate?
1-decyl-4-iodobenzene tetrafluoroborate has a molecular weight of 431.08 g/mol, XLogP of 7.27, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-4-iodobenzene tetrafluoroborate is sourced from PubChem (CID 174595981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).