[(5R)-5-(4-methylphenyl)hex-1-ynyl]-phenyliodanium tetrafluoroborate

C19H20BF4I — CID 11016013

IUPAC[(5R)-5-(4-methylphenyl)hex-1-ynyl]-phenyliodanium tetrafluoroborate
SMILESCc1ccc([C@H](C)CCC#C[I+]c2ccccc2)cc1.F[B-](F)(F)F
InChIInChI=1S/C19H20I.BF4/c1-16-11-13-18(14-12-16)17(2)8-6-7-15-20-19-9-4-3-5-10-19;2-1(3,4)5/h3-5,9-14,17H,6,8H2,1-2H3;/q+1;-1/t17-;/m1./s1
InChIKeyHXINZUXHRWCXTD-UNTBIKODSA-N
MW462.08 g/mol
LogP3.10
Rot. Bonds4

About [(5R)-5-(4-methylphenyl)hex-1-ynyl]-phenyliodanium tetrafluoroborate

[(5R)-5-(4-methylphenyl)hex-1-ynyl]-phenyliodanium tetrafluoroborate (PubChem CID 11016013) has the molecular formula C19H20BF4I and a molecular weight of 462.08 g/mol. Its IUPAC name is [(5R)-5-(4-methylphenyl)hex-1-ynyl]-phenyliodanium tetrafluoroborate.

Molecular Properties

Compound Name[(5R)-5-(4-methylphenyl)hex-1-ynyl]-phenyliodanium tetrafluoroborate
PubChem CID11016013
Molecular FormulaC19H20BF4I
Molecular Weight462.08 g/mol
Exact Mass462.06
IUPAC Name[(5R)-5-(4-methylphenyl)hex-1-ynyl]-phenyliodanium tetrafluoroborate
SMILESCc1ccc([C@H](C)CCC#C[I+]c2ccccc2)cc1.F[B-](F)(F)F
InChIInChI=1S/C19H20I.BF4/c1-16-11-13-18(14-12-16)17(2)8-6-7-15-20-19-9-4-3-5-10-19;2-1(3,4)5/h3-5,9-14,17H,6,8H2,1-2H3;/q+1;-1/t17-;/m1./s1
InChIKeyHXINZUXHRWCXTD-UNTBIKODSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.08
LogP ≤ 53.10
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [(5R)-5-(4-methylphenyl)hex-1-ynyl]-phenyliodanium tetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

fluoromethyl-(4-methylphenyl)-phenylsulfanium;2-methylpropane;tetrafluoroborate
CID 162185007
1-hexan-2-yl-4-phenylbenzene
CID 57161678
7-[3-(4-methylphenyl)butyl]-3-phenylcyclohepta-1,3,5-triene
CID 143188504
1-methyl-4-[3-(4-methylphenyl)butylsulfanyl]benzene
CID 146617256
oct-6-yn-2-ylbenzene
CID 101063649
1-[(2R)-1-bromopropan-2-yl]-4-phenylbenzene
CID 124511270
(2S,4R)-4-(4-methylphenyl)pentan-2-amine
CID 11789769
aniline;1-methyl-4-propan-2-ylbenzene
CID 19435769
N-[1-(4-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 43097751
4-(4-phenylphenyl)pentan-2-amine
CID 65456648
1-methyl-4-(5-methyloctan-2-yl)benzene
CID 143286559
4-(4-phenylmethoxyphenyl)pentanenitrile
CID 83932950

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-(4-methylphenyl)hex-1-ynyl]-phenyliodanium tetrafluoroborate?
The IUPAC name of [(5R)-5-(4-methylphenyl)hex-1-ynyl]-phenyliodanium tetrafluoroborate (CID 11016013) is [(5R)-5-(4-methylphenyl)hex-1-ynyl]-phenyliodanium tetrafluoroborate.
What is the SMILES notation for [(5R)-5-(4-methylphenyl)hex-1-ynyl]-phenyliodanium tetrafluoroborate?
The canonical SMILES for [(5R)-5-(4-methylphenyl)hex-1-ynyl]-phenyliodanium tetrafluoroborate is Cc1ccc([C@H](C)CCC#C[I+]c2ccccc2)cc1.F[B-](F)(F)F.
What is the InChIKey of [(5R)-5-(4-methylphenyl)hex-1-ynyl]-phenyliodanium tetrafluoroborate?
The InChIKey is HXINZUXHRWCXTD-UNTBIKODSA-N. The full InChI is InChI=1S/C19H20I.BF4/c1-16-11-13-18(14-12-16)17(2)8-6-7-15-20-19-9-4-3-5-10-19;2-1(3,4)5/h3-5,9-14,17H,6,8H2,1-2H3;/q+1;-1/t17-;/m1./s1.
What are the key properties of [(5R)-5-(4-methylphenyl)hex-1-ynyl]-phenyliodanium tetrafluoroborate?
[(5R)-5-(4-methylphenyl)hex-1-ynyl]-phenyliodanium tetrafluoroborate has a molecular weight of 462.08 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-(4-methylphenyl)hex-1-ynyl]-phenyliodanium tetrafluoroborate is sourced from PubChem (CID 11016013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).