ethane;trifluoromethanol;zinc

C3H6F3OZn- — CID 173121585

IUPACethane;trifluoromethanol;zinc
SMILESOC(F)(F)F.[CH2-]C.[Zn]
InChIInChI=1S/C2H5.CHF3O.Zn/c1-2;2-1(3,4)5;/h1H2,2H3;5H;/q-1;;
InChIKeyLFLJCLCLGNICJR-UHFFFAOYSA-N
MW180.46 g/mol
LogP1.34
Rot. Bonds

About ethane;trifluoromethanol;zinc

ethane;trifluoromethanol;zinc (PubChem CID 173121585) has the molecular formula C3H6F3OZn- and a molecular weight of 180.46 g/mol. Its IUPAC name is ethane;trifluoromethanol;zinc.

Molecular Properties

Compound Nameethane;trifluoromethanol;zinc
PubChem CID173121585
Molecular FormulaC3H6F3OZn-
Molecular Weight180.46 g/mol
Exact Mass178.97
IUPAC Nameethane;trifluoromethanol;zinc
SMILESOC(F)(F)F.[CH2-]C.[Zn]
InChIInChI=1S/C2H5.CHF3O.Zn/c1-2;2-1(3,4)5;/h1H2,2H3;5H;/q-1;;
InChIKeyLFLJCLCLGNICJR-UHFFFAOYSA-N
XLogP1.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.46
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-methanidylpropan-2-ol
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CID 174966166
1,2,2,3,3-pentafluorobutane-1,1-diol
CID 150527762
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;tetramethylazanium
CID 175151132
acetaldehyde;2-methylpropan-2-ol;zinc
CID 87127554
magnesium;ethane;1,1,1,3,3,3-hexafluoropropane;phosphoric acid
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1,1,1-trifluoroethane
CID 91327996
2,2-difluoropropane
CID 160894634

Frequently Asked Questions

What is the IUPAC name of ethane;trifluoromethanol;zinc?
The IUPAC name of ethane;trifluoromethanol;zinc (CID 173121585) is ethane;trifluoromethanol;zinc.
What is the SMILES notation for ethane;trifluoromethanol;zinc?
The canonical SMILES for ethane;trifluoromethanol;zinc is OC(F)(F)F.[CH2-]C.[Zn].
What is the InChIKey of ethane;trifluoromethanol;zinc?
The InChIKey is LFLJCLCLGNICJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5.CHF3O.Zn/c1-2;2-1(3,4)5;/h1H2,2H3;5H;/q-1;;.
What are the key properties of ethane;trifluoromethanol;zinc?
ethane;trifluoromethanol;zinc has a molecular weight of 180.46 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;trifluoromethanol;zinc is sourced from PubChem (CID 173121585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).