[4-(trifluoromethyl)benzene-5-id-1-yl]methanol;yttrium

C8H6F3OY- — CID 59965094

IUPAC[4-(trifluoromethyl)benzene-5-id-1-yl]methanol;yttrium
SMILESOCc1c[c-]c(C(F)(F)F)cc1.[Y]
InChIInChI=1S/C8H6F3O.Y/c9-8(10,11)7-3-1-6(5-12)2-4-7;/h1-3,12H,5H2;/q-1;
InChIKeyGSMCLAPBZQFHEB-UHFFFAOYSA-N
MW264.04 g/mol
LogP2.00
Rot. Bonds1

About [4-(trifluoromethyl)benzene-5-id-1-yl]methanol;yttrium

[4-(trifluoromethyl)benzene-5-id-1-yl]methanol;yttrium (PubChem CID 59965094) has the molecular formula C8H6F3OY- and a molecular weight of 264.04 g/mol. Its IUPAC name is [4-(trifluoromethyl)benzene-5-id-1-yl]methanol;yttrium.

Molecular Properties

Compound Name[4-(trifluoromethyl)benzene-5-id-1-yl]methanol;yttrium
PubChem CID59965094
Molecular FormulaC8H6F3OY-
Molecular Weight264.04 g/mol
Exact Mass263.94
IUPAC Name[4-(trifluoromethyl)benzene-5-id-1-yl]methanol;yttrium
SMILESOCc1c[c-]c(C(F)(F)F)cc1.[Y]
InChIInChI=1S/C8H6F3O.Y/c9-8(10,11)7-3-1-6(5-12)2-4-7;/h1-3,12H,5H2;/q-1;
InChIKeyGSMCLAPBZQFHEB-UHFFFAOYSA-N
XLogP2.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.04
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [4-(trifluoromethyl)benzene-5-id-1-yl]methanol;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 78143303
4-(Trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 139242862
5-(Trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 139242863
(1S)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 71662886
2-(Trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 139242864
6-Methylidene-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 21257323
1-Cyclohexa-1,5-dien-1-yl-2,2,2-trifluoroethanol
CID 21886415
(3,5-Difluorocyclohexa-1,5-dien-1-yl)methanol
CID 68213045
(3,3,5,6-Tetrafluorocyclohexa-1,5-dien-1-yl)methanol
CID 70389822
(2,4,5-Trifluorocyclohexa-1,5-dien-1-yl)methanol
CID 70639860
(3,4,5-Trifluorocyclohexa-1,5-dien-1-yl)methanol
CID 88890755
[2-(Difluoromethyl)cyclohexa-1,5-dien-1-yl]methanol
CID 89022383

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)benzene-5-id-1-yl]methanol;yttrium?
The IUPAC name of [4-(trifluoromethyl)benzene-5-id-1-yl]methanol;yttrium (CID 59965094) is [4-(trifluoromethyl)benzene-5-id-1-yl]methanol;yttrium.
What is the SMILES notation for [4-(trifluoromethyl)benzene-5-id-1-yl]methanol;yttrium?
The canonical SMILES for [4-(trifluoromethyl)benzene-5-id-1-yl]methanol;yttrium is OCc1c[c-]c(C(F)(F)F)cc1.[Y].
What is the InChIKey of [4-(trifluoromethyl)benzene-5-id-1-yl]methanol;yttrium?
The InChIKey is GSMCLAPBZQFHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3O.Y/c9-8(10,11)7-3-1-6(5-12)2-4-7;/h1-3,12H,5H2;/q-1;.
What are the key properties of [4-(trifluoromethyl)benzene-5-id-1-yl]methanol;yttrium?
[4-(trifluoromethyl)benzene-5-id-1-yl]methanol;yttrium has a molecular weight of 264.04 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)benzene-5-id-1-yl]methanol;yttrium is sourced from PubChem (CID 59965094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).