N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum

C15H16F3I2N3Pt — CID 87352335

IUPACN,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum
SMILESC=CCn1ccn(C)c1=[Pt].FC(F)(F)c1ccc(CN(I)I)cc1
InChIInChI=1S/C8H6F3I2N.C7H10N2.Pt/c9-8(10,11)7-3-1-6(2-4-7)5-14(12)13;1-3-4-9-6-5-8(2)7-9;/h1-4H,5H2;3,5-6H,1,4H2,2H3;
InChIKeyQWOXERGNZUOHIS-UHFFFAOYSA-N
MW744.19 g/mol
LogP5.30
Rot. Bonds4

About N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum

N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum (PubChem CID 87352335) has the molecular formula C15H16F3I2N3Pt and a molecular weight of 744.19 g/mol. Its IUPAC name is N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum.

Molecular Properties

Compound NameN,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum
PubChem CID87352335
Molecular FormulaC15H16F3I2N3Pt
Molecular Weight744.19 g/mol
Exact Mass743.90
IUPAC NameN,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum
SMILESC=CCn1ccn(C)c1=[Pt].FC(F)(F)c1ccc(CN(I)I)cc1
InChIInChI=1S/C8H6F3I2N.C7H10N2.Pt/c9-8(10,11)7-3-1-6(2-4-7)5-14(12)13;1-3-4-9-6-5-8(2)7-9;/h1-4H,5H2;3,5-6H,1,4H2,2H3;
InChIKeyQWOXERGNZUOHIS-UHFFFAOYSA-N
XLogP5.30
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.19
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine
CID 87351570
ethenyl-[ethenyl(dimethyl)silyl]oxy-dimethylsilane;[1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum
CID 87352049
N,N-dichlorocyclohexanamine;[1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum
CID 87351985
N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine;(1,3,7,9-tetramethyl-2,6-dioxopurin-8-ylidene)platinum
CID 87352178
1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one
CID 116624448
N,N-diiodocycloheptanamine;[1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum
CID 87352489
1-[4-(trifluoromethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine
CID 100995079
N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 154621355
N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine
CID 154621376
N-amino-N-[[4-(trifluoromethyl)phenyl]methyl]formamide
CID 87961063
N,N,N',N'-tetrakis[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 139171038
N-[(1-methylpyrrol-2-yl)methyl]-N-prop-2-enyl-4-(trifluoromethyl)benzamide
CID 42759947

Frequently Asked Questions

What is the IUPAC name of N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum?
The IUPAC name of N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum (CID 87352335) is N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum.
What is the SMILES notation for N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum?
The canonical SMILES for N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum is C=CCn1ccn(C)c1=[Pt].FC(F)(F)c1ccc(CN(I)I)cc1.
What is the InChIKey of N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum?
The InChIKey is QWOXERGNZUOHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3I2N.C7H10N2.Pt/c9-8(10,11)7-3-1-6(2-4-7)5-14(12)13;1-3-4-9-6-5-8(2)7-9;/h1-4H,5H2;3,5-6H,1,4H2,2H3;.
What are the key properties of N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum?
N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum has a molecular weight of 744.19 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum is sourced from PubChem (CID 87352335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).