carbanide;5-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]-1,2,3,6-tetrahydropyridine;yttrium

C14H16F3NOY-2 — CID 166108129

IUPACcarbanide;5-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]-1,2,3,6-tetrahydropyridine;yttrium
SMILESCOc1cc(C(F)(F)F)[c-]cc1C1=CCCNC1.[CH3-].[Y]
InChIInChI=1S/C13H13F3NO.CH3.Y/c1-18-12-7-10(13(14,15)16)4-5-11(12)9-3-2-6-17-8-9;;/h3,5,7,17H,2,6,8H2,1H3;1H3;/q2*-1;
InChIKeyJYCNAHVFBYISJE-UHFFFAOYSA-N
MW360.19 g/mol
LogP3.34
Rot. Bonds2

About carbanide;5-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]-1,2,3,6-tetrahydropyridine;yttrium

carbanide;5-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]-1,2,3,6-tetrahydropyridine;yttrium (PubChem CID 166108129) has the molecular formula C14H16F3NOY-2 and a molecular weight of 360.19 g/mol. Its IUPAC name is carbanide;5-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]-1,2,3,6-tetrahydropyridine;yttrium.

Molecular Properties

Compound Namecarbanide;5-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]-1,2,3,6-tetrahydropyridine;yttrium
PubChem CID166108129
Molecular FormulaC14H16F3NOY-2
Molecular Weight360.19 g/mol
Exact Mass360.03
IUPAC Namecarbanide;5-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]-1,2,3,6-tetrahydropyridine;yttrium
SMILESCOc1cc(C(F)(F)F)[c-]cc1C1=CCCNC1.[CH3-].[Y]
InChIInChI=1S/C13H13F3NO.CH3.Y/c1-18-12-7-10(13(14,15)16)4-5-11(12)9-3-2-6-17-8-9;;/h3,5,7,17H,2,6,8H2,1H3;1H3;/q2*-1;
InChIKeyJYCNAHVFBYISJE-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-fluoro-5-methylphenyl)-1,2,3,6-tetrahydropyridine
CID 130506647
5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole
CID 168941463
4-(2,4-dimethoxy-3-methylphenyl)-2,3,6,7-tetrahydro-1H-azepine
CID 82295907
5-(5-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine
CID 130506700
7,8-dimethoxy-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 79014767
(1E)-1-[2,4-dimethoxy-6-(trifluoromethyl)phenyl]cyclodecene
CID 134255763
5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1,2,3,6-tetrahydropyridine;2,2,2-trifluoroacetic acid
CID 171680027
1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene
CID 137442942
4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene
CID 177477117
3-(2-fluoroethyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
CID 14898774
7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 82279765
4-(5-amino-2,4-dimethoxyphenyl)-6-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]benzene-1,3-diamine
CID 163722931

Frequently Asked Questions

What is the IUPAC name of carbanide;5-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]-1,2,3,6-tetrahydropyridine;yttrium?
The IUPAC name of carbanide;5-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]-1,2,3,6-tetrahydropyridine;yttrium (CID 166108129) is carbanide;5-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]-1,2,3,6-tetrahydropyridine;yttrium.
What is the SMILES notation for carbanide;5-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]-1,2,3,6-tetrahydropyridine;yttrium?
The canonical SMILES for carbanide;5-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]-1,2,3,6-tetrahydropyridine;yttrium is COc1cc(C(F)(F)F)[c-]cc1C1=CCCNC1.[CH3-].[Y].
What is the InChIKey of carbanide;5-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]-1,2,3,6-tetrahydropyridine;yttrium?
The InChIKey is JYCNAHVFBYISJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3NO.CH3.Y/c1-18-12-7-10(13(14,15)16)4-5-11(12)9-3-2-6-17-8-9;;/h3,5,7,17H,2,6,8H2,1H3;1H3;/q2*-1;.
What are the key properties of carbanide;5-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]-1,2,3,6-tetrahydropyridine;yttrium?
carbanide;5-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]-1,2,3,6-tetrahydropyridine;yttrium has a molecular weight of 360.19 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;5-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]-1,2,3,6-tetrahydropyridine;yttrium is sourced from PubChem (CID 166108129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).