[(Z)-2-methylhex-1-enyl]-[4-(trifluoromethyl)phenyl]iodanium

C14H17F3I+ — CID 100950048

IUPAC[(Z)-2-methylhex-1-enyl]-[4-(trifluoromethyl)phenyl]iodanium
SMILESCCCC/C(C)=C\[I+]c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3I/c1-3-4-5-11(2)10-18-13-8-6-12(7-9-13)14(15,16)17/h6-10H,3-5H2,1-2H3/q+1/b11-10-
InChIKeyASGPKXMKMWOONT-KHPPLWFESA-N
MW369.19 g/mol
LogP2.06
Rot. Bonds5

About [(Z)-2-methylhex-1-enyl]-[4-(trifluoromethyl)phenyl]iodanium

[(Z)-2-methylhex-1-enyl]-[4-(trifluoromethyl)phenyl]iodanium (PubChem CID 100950048) has the molecular formula C14H17F3I+ and a molecular weight of 369.19 g/mol. Its IUPAC name is [(Z)-2-methylhex-1-enyl]-[4-(trifluoromethyl)phenyl]iodanium.

Molecular Properties

Compound Name[(Z)-2-methylhex-1-enyl]-[4-(trifluoromethyl)phenyl]iodanium
PubChem CID100950048
Molecular FormulaC14H17F3I+
Molecular Weight369.19 g/mol
Exact Mass369.03
IUPAC Name[(Z)-2-methylhex-1-enyl]-[4-(trifluoromethyl)phenyl]iodanium
SMILESCCCC/C(C)=C\[I+]c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3I/c1-3-4-5-11(2)10-18-13-8-6-12(7-9-13)14(15,16)17/h6-10H,3-5H2,1-2H3/q+1/b11-10-
InChIKeyASGPKXMKMWOONT-KHPPLWFESA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.19
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Toluene
CID 1140
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
Butylbenzene
CID 7705
Pentylbenzene
CID 10864
Propylbenzene
CID 7668
trans-beta-METHYLSTYRENE
CID 252325
(Trifluoromethyl)benzene
CID 7368
Hexylbenzene
CID 14109
p-Fluorotoluene
CID 9603
m-Fluorotoluene
CID 9606

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-methylhex-1-enyl]-[4-(trifluoromethyl)phenyl]iodanium?
The IUPAC name of [(Z)-2-methylhex-1-enyl]-[4-(trifluoromethyl)phenyl]iodanium (CID 100950048) is [(Z)-2-methylhex-1-enyl]-[4-(trifluoromethyl)phenyl]iodanium.
What is the SMILES notation for [(Z)-2-methylhex-1-enyl]-[4-(trifluoromethyl)phenyl]iodanium?
The canonical SMILES for [(Z)-2-methylhex-1-enyl]-[4-(trifluoromethyl)phenyl]iodanium is CCCC/C(C)=C\[I+]c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [(Z)-2-methylhex-1-enyl]-[4-(trifluoromethyl)phenyl]iodanium?
The InChIKey is ASGPKXMKMWOONT-KHPPLWFESA-N. The full InChI is InChI=1S/C14H17F3I/c1-3-4-5-11(2)10-18-13-8-6-12(7-9-13)14(15,16)17/h6-10H,3-5H2,1-2H3/q+1/b11-10-.
What are the key properties of [(Z)-2-methylhex-1-enyl]-[4-(trifluoromethyl)phenyl]iodanium?
[(Z)-2-methylhex-1-enyl]-[4-(trifluoromethyl)phenyl]iodanium has a molecular weight of 369.19 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-methylhex-1-enyl]-[4-(trifluoromethyl)phenyl]iodanium is sourced from PubChem (CID 100950048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).