fluoro-iodo-(1-phenylbutan-2-yl)borane

C10H13BFI — CID 90290762

IUPACfluoro-iodo-(1-phenylbutan-2-yl)borane
SMILESCCC(Cc1ccccc1)B(F)I
InChIInChI=1S/C10H13BFI/c1-2-10(11(12)13)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyVCKBDGIYWDGHNT-UHFFFAOYSA-N
MW289.93 g/mol
LogP3.90
Rot. Bonds4

About fluoro-iodo-(1-phenylbutan-2-yl)borane

fluoro-iodo-(1-phenylbutan-2-yl)borane (PubChem CID 90290762) has the molecular formula C10H13BFI and a molecular weight of 289.93 g/mol. Its IUPAC name is fluoro-iodo-(1-phenylbutan-2-yl)borane.

Molecular Properties

Compound Namefluoro-iodo-(1-phenylbutan-2-yl)borane
PubChem CID90290762
Molecular FormulaC10H13BFI
Molecular Weight289.93 g/mol
Exact Mass290.01
IUPAC Namefluoro-iodo-(1-phenylbutan-2-yl)borane
SMILESCCC(Cc1ccccc1)B(F)I
InChIInChI=1S/C10H13BFI/c1-2-10(11(12)13)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyVCKBDGIYWDGHNT-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.93
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-ethylbutylbenzene;methane
CID 158777195
2-iodobutylbenzene
CID 11196235
2-benzylbutane-1-sulfonamide
CID 68809257
N,N-dimethyl-1-phenylpropan-2-amine;iodomethane
CID 23619188
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
(2R)-2-benzylbutan-1-amine
CID 42325983
3-benzyl-2-fluoropentanoic acid
CID 81357340
tribenzyl(ethyl)phosphanium
CID 23415376
[(2R)-2-fluoro-2-iodoethyl]benzene
CID 124672761
[(2S)-2-ethyl-3-methylbutyl]benzene
CID 59911229
(1-hydroxy-3-phenylpropan-2-yl)-propylazanide;rubidium(1+)
CID 59894889
dimethyl(1-phenylheptadecan-2-yl)borane
CID 174876505

Frequently Asked Questions

What is the IUPAC name of fluoro-iodo-(1-phenylbutan-2-yl)borane?
The IUPAC name of fluoro-iodo-(1-phenylbutan-2-yl)borane (CID 90290762) is fluoro-iodo-(1-phenylbutan-2-yl)borane.
What is the SMILES notation for fluoro-iodo-(1-phenylbutan-2-yl)borane?
The canonical SMILES for fluoro-iodo-(1-phenylbutan-2-yl)borane is CCC(Cc1ccccc1)B(F)I.
What is the InChIKey of fluoro-iodo-(1-phenylbutan-2-yl)borane?
The InChIKey is VCKBDGIYWDGHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BFI/c1-2-10(11(12)13)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3.
What are the key properties of fluoro-iodo-(1-phenylbutan-2-yl)borane?
fluoro-iodo-(1-phenylbutan-2-yl)borane has a molecular weight of 289.93 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-iodo-(1-phenylbutan-2-yl)borane is sourced from PubChem (CID 90290762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).