1-iodo-4-(1-phenylheptyl)benzene tetrafluoroborate

C19H23BF4I- — CID 174509361

IUPAC1-iodo-4-(1-phenylheptyl)benzene tetrafluoroborate
SMILESCCCCCCC(c1ccccc1)c1ccc(I)cc1.F[B-](F)(F)F
InChIInChI=1S/C19H23I.BF4/c1-2-3-4-8-11-19(16-9-6-5-7-10-16)17-12-14-18(20)15-13-17;2-1(3,4)5/h5-7,9-10,12-15,19H,2-4,8,11H2,1H3;/q;-1
InChIKeyZOWDFSLVEBRNDG-UHFFFAOYSA-N
MW465.10 g/mol
LogP7.69
Rot. Bonds7

About 1-iodo-4-(1-phenylheptyl)benzene tetrafluoroborate

1-iodo-4-(1-phenylheptyl)benzene tetrafluoroborate (PubChem CID 174509361) has the molecular formula C19H23BF4I- and a molecular weight of 465.10 g/mol. Its IUPAC name is 1-iodo-4-(1-phenylheptyl)benzene tetrafluoroborate.

Molecular Properties

Compound Name1-iodo-4-(1-phenylheptyl)benzene tetrafluoroborate
PubChem CID174509361
Molecular FormulaC19H23BF4I-
Molecular Weight465.10 g/mol
Exact Mass465.09
IUPAC Name1-iodo-4-(1-phenylheptyl)benzene tetrafluoroborate
SMILESCCCCCCC(c1ccccc1)c1ccc(I)cc1.F[B-](F)(F)F
InChIInChI=1S/C19H23I.BF4/c1-2-3-4-8-11-19(16-9-6-5-7-10-16)17-12-14-18(20)15-13-17;2-1(3,4)5/h5-7,9-10,12-15,19H,2-4,8,11H2,1H3;/q;-1
InChIKeyZOWDFSLVEBRNDG-UHFFFAOYSA-N
XLogP7.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.10
LogP ≤ 57.69
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-(1-phenylheptyl)benzene
CID 57089203
N-ethyl-N-methylethanamine;1-phenylheptylbenzene
CID 18402602
4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene
CID 23336050
1-(4-iodophenyl)heptan-1-amine
CID 115833109
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline
CID 22919999
1-decyl-4-iodobenzene tetrafluoroborate
CID 174595981
1-hexadecyl-4-[1-(4-hexadecylphenyl)hexadecyl]benzene
CID 21436596
4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]decyl]phenyl]pentyl]aniline
CID 22920190
1-(4-iodophenyl)-N-methyldecan-1-amine
CID 115831490
2-(1-phenylnonyl)phenol
CID 67177643

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-(1-phenylheptyl)benzene tetrafluoroborate?
The IUPAC name of 1-iodo-4-(1-phenylheptyl)benzene tetrafluoroborate (CID 174509361) is 1-iodo-4-(1-phenylheptyl)benzene tetrafluoroborate.
What is the SMILES notation for 1-iodo-4-(1-phenylheptyl)benzene tetrafluoroborate?
The canonical SMILES for 1-iodo-4-(1-phenylheptyl)benzene tetrafluoroborate is CCCCCCC(c1ccccc1)c1ccc(I)cc1.F[B-](F)(F)F.
What is the InChIKey of 1-iodo-4-(1-phenylheptyl)benzene tetrafluoroborate?
The InChIKey is ZOWDFSLVEBRNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23I.BF4/c1-2-3-4-8-11-19(16-9-6-5-7-10-16)17-12-14-18(20)15-13-17;2-1(3,4)5/h5-7,9-10,12-15,19H,2-4,8,11H2,1H3;/q;-1.
What are the key properties of 1-iodo-4-(1-phenylheptyl)benzene tetrafluoroborate?
1-iodo-4-(1-phenylheptyl)benzene tetrafluoroborate has a molecular weight of 465.10 g/mol, XLogP of 7.69, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-(1-phenylheptyl)benzene tetrafluoroborate is sourced from PubChem (CID 174509361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).