chromium;2,4-dimethyl-6-(2,2,2-trifluoroethylideneamino)phenol

C10H10CrF3NO — CID 23578306

IUPACchromium;2,4-dimethyl-6-(2,2,2-trifluoroethylideneamino)phenol
SMILESCc1cc(C)c(O)c(/N=C/C(F)(F)F)c1.[Cr]
InChIInChI=1S/C10H10F3NO.Cr/c1-6-3-7(2)9(15)8(4-6)14-5-10(11,12)13;/h3-5,15H,1-2H3;/b14-5+;
InChIKeyPYRFUXDGPGQEGR-OCSIRBNJSA-N
MW269.19 g/mol
LogP3.27
Rot. Bonds1

About chromium;2,4-dimethyl-6-(2,2,2-trifluoroethylideneamino)phenol

chromium;2,4-dimethyl-6-(2,2,2-trifluoroethylideneamino)phenol (PubChem CID 23578306) has the molecular formula C10H10CrF3NO and a molecular weight of 269.19 g/mol. Its IUPAC name is chromium;2,4-dimethyl-6-(2,2,2-trifluoroethylideneamino)phenol.

Molecular Properties

Compound Namechromium;2,4-dimethyl-6-(2,2,2-trifluoroethylideneamino)phenol
PubChem CID23578306
Molecular FormulaC10H10CrF3NO
Molecular Weight269.19 g/mol
Exact Mass269.01
IUPAC Namechromium;2,4-dimethyl-6-(2,2,2-trifluoroethylideneamino)phenol
SMILESCc1cc(C)c(O)c(/N=C/C(F)(F)F)c1.[Cr]
InChIInChI=1S/C10H10F3NO.Cr/c1-6-3-7(2)9(15)8(4-6)14-5-10(11,12)13;/h3-5,15H,1-2H3;/b14-5+;
InChIKeyPYRFUXDGPGQEGR-OCSIRBNJSA-N
XLogP3.27
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chromium;2,4-dimethyl-6-(2,2,2-trifluoroethylideneamino)phenol?
The IUPAC name of chromium;2,4-dimethyl-6-(2,2,2-trifluoroethylideneamino)phenol (CID 23578306) is chromium;2,4-dimethyl-6-(2,2,2-trifluoroethylideneamino)phenol.
What is the SMILES notation for chromium;2,4-dimethyl-6-(2,2,2-trifluoroethylideneamino)phenol?
The canonical SMILES for chromium;2,4-dimethyl-6-(2,2,2-trifluoroethylideneamino)phenol is Cc1cc(C)c(O)c(/N=C/C(F)(F)F)c1.[Cr].
What is the InChIKey of chromium;2,4-dimethyl-6-(2,2,2-trifluoroethylideneamino)phenol?
The InChIKey is PYRFUXDGPGQEGR-OCSIRBNJSA-N. The full InChI is InChI=1S/C10H10F3NO.Cr/c1-6-3-7(2)9(15)8(4-6)14-5-10(11,12)13;/h3-5,15H,1-2H3;/b14-5+;.
What are the key properties of chromium;2,4-dimethyl-6-(2,2,2-trifluoroethylideneamino)phenol?
chromium;2,4-dimethyl-6-(2,2,2-trifluoroethylideneamino)phenol has a molecular weight of 269.19 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;2,4-dimethyl-6-(2,2,2-trifluoroethylideneamino)phenol is sourced from PubChem (CID 23578306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).