1,2,3,4-tetrafluoro-10-methyl-9,10-dihydrophenanthren-9-ide;yttrium

C15H9F4Y- — CID 161322945

IUPAC1,2,3,4-tetrafluoro-10-methyl-9,10-dihydrophenanthren-9-ide;yttrium
SMILESCC1[CH-]c2ccccc2-c2c(F)c(F)c(F)c(F)c21.[Y]
InChIInChI=1S/C15H9F4.Y/c1-7-6-8-4-2-3-5-9(8)11-10(7)12(16)14(18)15(19)13(11)17;/h2-7H,1H3;/q-1;
InChIKeyCORWOFYSTCEPHS-UHFFFAOYSA-N
MW354.14 g/mol
LogP4.58
Rot. Bonds

About 1,2,3,4-tetrafluoro-10-methyl-9,10-dihydrophenanthren-9-ide;yttrium

1,2,3,4-tetrafluoro-10-methyl-9,10-dihydrophenanthren-9-ide;yttrium (PubChem CID 161322945) has the molecular formula C15H9F4Y- and a molecular weight of 354.14 g/mol. Its IUPAC name is 1,2,3,4-tetrafluoro-10-methyl-9,10-dihydrophenanthren-9-ide;yttrium.

Molecular Properties

Compound Name1,2,3,4-tetrafluoro-10-methyl-9,10-dihydrophenanthren-9-ide;yttrium
PubChem CID161322945
Molecular FormulaC15H9F4Y-
Molecular Weight354.14 g/mol
Exact Mass353.97
IUPAC Name1,2,3,4-tetrafluoro-10-methyl-9,10-dihydrophenanthren-9-ide;yttrium
SMILESCC1[CH-]c2ccccc2-c2c(F)c(F)c(F)c(F)c21.[Y]
InChIInChI=1S/C15H9F4.Y/c1-7-6-8-4-2-3-5-9(8)11-10(7)12(16)14(18)15(19)13(11)17;/h2-7H,1H3;/q-1;
InChIKeyCORWOFYSTCEPHS-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.14
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrafluoro-10-methyl-9,10-dihydrophenanthren-9-ide;yttrium?
The IUPAC name of 1,2,3,4-tetrafluoro-10-methyl-9,10-dihydrophenanthren-9-ide;yttrium (CID 161322945) is 1,2,3,4-tetrafluoro-10-methyl-9,10-dihydrophenanthren-9-ide;yttrium.
What is the SMILES notation for 1,2,3,4-tetrafluoro-10-methyl-9,10-dihydrophenanthren-9-ide;yttrium?
The canonical SMILES for 1,2,3,4-tetrafluoro-10-methyl-9,10-dihydrophenanthren-9-ide;yttrium is CC1[CH-]c2ccccc2-c2c(F)c(F)c(F)c(F)c21.[Y].
What is the InChIKey of 1,2,3,4-tetrafluoro-10-methyl-9,10-dihydrophenanthren-9-ide;yttrium?
The InChIKey is CORWOFYSTCEPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4.Y/c1-7-6-8-4-2-3-5-9(8)11-10(7)12(16)14(18)15(19)13(11)17;/h2-7H,1H3;/q-1;.
What are the key properties of 1,2,3,4-tetrafluoro-10-methyl-9,10-dihydrophenanthren-9-ide;yttrium?
1,2,3,4-tetrafluoro-10-methyl-9,10-dihydrophenanthren-9-ide;yttrium has a molecular weight of 354.14 g/mol, XLogP of 4.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrafluoro-10-methyl-9,10-dihydrophenanthren-9-ide;yttrium is sourced from PubChem (CID 161322945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).