N,N-dichlorocyclohexanamine;[1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum

C18H22Cl2F3N3Pt — CID 87351985

IUPACN,N-dichlorocyclohexanamine;[1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum
SMILESClN(Cl)C1CCCCC1.Cn1ccn(Cc2ccc(C(F)(F)F)cc2)c1=[Pt]
InChIInChI=1S/C12H11F3N2.C6H11Cl2N.Pt/c1-16-6-7-17(9-16)8-10-2-4-11(5-3-10)12(13,14)15;7-9(8)6-4-2-1-3-5-6;/h2-7H,8H2,1H3;6H,1-5H2;
InChIKeyKMHXXUKAEKIFHM-UHFFFAOYSA-N
MW603.37 g/mol
LogP5.90
Rot. Bonds3

About N,N-dichlorocyclohexanamine;[1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum

N,N-dichlorocyclohexanamine;[1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum (PubChem CID 87351985) has the molecular formula C18H22Cl2F3N3Pt and a molecular weight of 603.37 g/mol. Its IUPAC name is N,N-dichlorocyclohexanamine;[1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum.

Molecular Properties

Compound NameN,N-dichlorocyclohexanamine;[1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum
PubChem CID87351985
Molecular FormulaC18H22Cl2F3N3Pt
Molecular Weight603.37 g/mol
Exact Mass602.08
IUPAC NameN,N-dichlorocyclohexanamine;[1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum
SMILESClN(Cl)C1CCCCC1.Cn1ccn(Cc2ccc(C(F)(F)F)cc2)c1=[Pt]
InChIInChI=1S/C12H11F3N2.C6H11Cl2N.Pt/c1-16-6-7-17(9-16)8-10-2-4-11(5-3-10)12(13,14)15;7-9(8)6-4-2-1-3-5-6;/h2-7H,8H2,1H3;6H,1-5H2;
InChIKeyKMHXXUKAEKIFHM-UHFFFAOYSA-N
XLogP5.90
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.37
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 10778520
N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 63761871
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CID 27267003
N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 2173507
N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 171336018
3-(1-ethylimidazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
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Frequently Asked Questions

What is the IUPAC name of N,N-dichlorocyclohexanamine;[1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum?
The IUPAC name of N,N-dichlorocyclohexanamine;[1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum (CID 87351985) is N,N-dichlorocyclohexanamine;[1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum.
What is the SMILES notation for N,N-dichlorocyclohexanamine;[1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum?
The canonical SMILES for N,N-dichlorocyclohexanamine;[1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum is ClN(Cl)C1CCCCC1.Cn1ccn(Cc2ccc(C(F)(F)F)cc2)c1=[Pt].
What is the InChIKey of N,N-dichlorocyclohexanamine;[1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum?
The InChIKey is KMHXXUKAEKIFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2.C6H11Cl2N.Pt/c1-16-6-7-17(9-16)8-10-2-4-11(5-3-10)12(13,14)15;7-9(8)6-4-2-1-3-5-6;/h2-7H,8H2,1H3;6H,1-5H2;.
What are the key properties of N,N-dichlorocyclohexanamine;[1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum?
N,N-dichlorocyclohexanamine;[1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum has a molecular weight of 603.37 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dichlorocyclohexanamine;[1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum is sourced from PubChem (CID 87351985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).