6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium

C14H14F2NOY- — CID 161280183

IUPAC6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium
SMILESC=C1CC[C-]=C(c2ccc(OCC(F)F)cc2)N1.[Y]
InChIInChI=1S/C14H14F2NO.Y/c1-10-3-2-4-13(17-10)11-5-7-12(8-6-11)18-9-14(15)16;/h5-8,14,17H,1-3,9H2;/q-1;
InChIKeyYNZWISMALZXMOG-UHFFFAOYSA-N
MW339.17 g/mol
LogP3.37
Rot. Bonds4

About 6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium

6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium (PubChem CID 161280183) has the molecular formula C14H14F2NOY- and a molecular weight of 339.17 g/mol. Its IUPAC name is 6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium.

Molecular Properties

Compound Name6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium
PubChem CID161280183
Molecular FormulaC14H14F2NOY-
Molecular Weight339.17 g/mol
Exact Mass339.01
IUPAC Name6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium
SMILESC=C1CC[C-]=C(c2ccc(OCC(F)F)cc2)N1.[Y]
InChIInChI=1S/C14H14F2NO.Y/c1-10-3-2-4-13(17-10)11-5-7-12(8-6-11)18-9-14(15)16;/h5-8,14,17H,1-3,9H2;/q-1;
InChIKeyYNZWISMALZXMOG-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.17
LogP ≤ 53.37
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

6-(4-ethoxyphenyl)-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium
CID 153050707
3-bromo-6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium
CID 159204350
3-chloro-6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine
CID 158431798
2-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159506707
6-(4-ethoxyphenyl)-3-methyl-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium
CID 147813194
2-[4-(2,2-difluoroethoxy)phenyl]-1-ethyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159935289
2-[4-(2,2-difluoroethoxy)phenyl]-1-(2,2-difluoroethyl)-5-ethynyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 158732629
2-methylidene-6-[4-(2,2,2-trifluoroethoxy)phenyl]-3,4-dihydro-1H-pyridine
CID 158225559
1-(bromomethyl)-4-(2,2-difluoroethoxy)benzene
CID 60921505
1-(2,2-difluoroethyl)-6-[4-(methylsulfanylmethoxy)phenyl]-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153452049
3-bromo-6-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-2-methylidenepyridine
CID 160922763
1-(2,2-difluoroethoxy)-4-(2-methoxyethynyl)benzene
CID 156627016

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium?
The IUPAC name of 6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium (CID 161280183) is 6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium.
What is the SMILES notation for 6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium?
The canonical SMILES for 6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium is C=C1CC[C-]=C(c2ccc(OCC(F)F)cc2)N1.[Y].
What is the InChIKey of 6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium?
The InChIKey is YNZWISMALZXMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2NO.Y/c1-10-3-2-4-13(17-10)11-5-7-12(8-6-11)18-9-14(15)16;/h5-8,14,17H,1-3,9H2;/q-1;.
What are the key properties of 6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium?
6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium has a molecular weight of 339.17 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium is sourced from PubChem (CID 161280183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).