2,2-difluoro-3-methyl-4,6-dihydro-3H-chromen-6-ide;yttrium

C10H9F2OY- — CID 59130026

IUPAC2,2-difluoro-3-methyl-4,6-dihydro-3H-chromen-6-ide;yttrium
SMILESCC1Cc2c[c-]ccc2OC1(F)F.[Y]
InChIInChI=1S/C10H9F2O.Y/c1-7-6-8-4-2-3-5-9(8)13-10(7,11)12;/h3-5,7H,6H2,1H3;/q-1;
InChIKeySLAUQRHVWIENGD-UHFFFAOYSA-N
MW272.08 g/mol
LogP2.65
Rot. Bonds

About 2,2-difluoro-3-methyl-4,6-dihydro-3H-chromen-6-ide;yttrium

2,2-difluoro-3-methyl-4,6-dihydro-3H-chromen-6-ide;yttrium (PubChem CID 59130026) has the molecular formula C10H9F2OY- and a molecular weight of 272.08 g/mol. Its IUPAC name is 2,2-difluoro-3-methyl-4,6-dihydro-3H-chromen-6-ide;yttrium.

Molecular Properties

Compound Name2,2-difluoro-3-methyl-4,6-dihydro-3H-chromen-6-ide;yttrium
PubChem CID59130026
Molecular FormulaC10H9F2OY-
Molecular Weight272.08 g/mol
Exact Mass271.97
IUPAC Name2,2-difluoro-3-methyl-4,6-dihydro-3H-chromen-6-ide;yttrium
SMILESCC1Cc2c[c-]ccc2OC1(F)F.[Y]
InChIInChI=1S/C10H9F2O.Y/c1-7-6-8-4-2-3-5-9(8)13-10(7,11)12;/h3-5,7H,6H2,1H3;/q-1;
InChIKeySLAUQRHVWIENGD-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.08
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Propan-2-yl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 19028649
5-[(E)-2-fluoroethenyl]-6-[(Z)-1-fluoroprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070342
6-[(Z)-1-fluoroprop-1-enyl]-5-[(E)-2-fluoroprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070397
5-[(E)-2-fluoroethenyl]-6-(1-fluoro-2-methylprop-1-enyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070560
2-(3-Methylcyclohexa-1,3-dien-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene
CID 71233033
5-ethenyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247343
6-(1-fluoroethenyl)-5-[(E)-2-fluoroprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247424
6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-5-ethenyl-3-methyl-3,4-dihydro-2H-pyran
CID 89247482
3,3-Difluoro-6-methyl-2,4,5,6-tetrahydrochromene
CID 89973259
1-[Difluoro-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)methoxy]-4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-diene
CID 137537863
(3E,5Z)-4-(difluoromethoxy)-5-ethylidene-7-methylocta-1,3-diene
CID 143250931
6-Fluoro-3,7-dimethyl-2,3,4,7-tetrahydrocyclohepta[b]pyran
CID 143728627

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-methyl-4,6-dihydro-3H-chromen-6-ide;yttrium?
The IUPAC name of 2,2-difluoro-3-methyl-4,6-dihydro-3H-chromen-6-ide;yttrium (CID 59130026) is 2,2-difluoro-3-methyl-4,6-dihydro-3H-chromen-6-ide;yttrium.
What is the SMILES notation for 2,2-difluoro-3-methyl-4,6-dihydro-3H-chromen-6-ide;yttrium?
The canonical SMILES for 2,2-difluoro-3-methyl-4,6-dihydro-3H-chromen-6-ide;yttrium is CC1Cc2c[c-]ccc2OC1(F)F.[Y].
What is the InChIKey of 2,2-difluoro-3-methyl-4,6-dihydro-3H-chromen-6-ide;yttrium?
The InChIKey is SLAUQRHVWIENGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2O.Y/c1-7-6-8-4-2-3-5-9(8)13-10(7,11)12;/h3-5,7H,6H2,1H3;/q-1;.
What are the key properties of 2,2-difluoro-3-methyl-4,6-dihydro-3H-chromen-6-ide;yttrium?
2,2-difluoro-3-methyl-4,6-dihydro-3H-chromen-6-ide;yttrium has a molecular weight of 272.08 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methyl-4,6-dihydro-3H-chromen-6-ide;yttrium is sourced from PubChem (CID 59130026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).