copper;4-(dimethylamino)-1,1,1-trifluoropentan-3-ol

C7H14CuF3NO — CID 169074035

IUPACcopper;4-(dimethylamino)-1,1,1-trifluoropentan-3-ol
SMILESCC(C(O)CC(F)(F)F)N(C)C.[Cu]
InChIInChI=1S/C7H14F3NO.Cu/c1-5(11(2)3)6(12)4-7(8,9)10;/h5-6,12H,4H2,1-3H3;
InChIKeyQOWVNWLARYRNAX-UHFFFAOYSA-N
MW248.74 g/mol
LogP1.25
Rot. Bonds3

About copper;4-(dimethylamino)-1,1,1-trifluoropentan-3-ol

copper;4-(dimethylamino)-1,1,1-trifluoropentan-3-ol (PubChem CID 169074035) has the molecular formula C7H14CuF3NO and a molecular weight of 248.74 g/mol. Its IUPAC name is copper;4-(dimethylamino)-1,1,1-trifluoropentan-3-ol.

Molecular Properties

Compound Namecopper;4-(dimethylamino)-1,1,1-trifluoropentan-3-ol
PubChem CID169074035
Molecular FormulaC7H14CuF3NO
Molecular Weight248.74 g/mol
Exact Mass248.03
IUPAC Namecopper;4-(dimethylamino)-1,1,1-trifluoropentan-3-ol
SMILESCC(C(O)CC(F)(F)F)N(C)C.[Cu]
InChIInChI=1S/C7H14F3NO.Cu/c1-5(11(2)3)6(12)4-7(8,9)10;/h5-6,12H,4H2,1-3H3;
InChIKeyQOWVNWLARYRNAX-UHFFFAOYSA-N
XLogP1.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.74
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of copper;4-(dimethylamino)-1,1,1-trifluoropentan-3-ol?
The IUPAC name of copper;4-(dimethylamino)-1,1,1-trifluoropentan-3-ol (CID 169074035) is copper;4-(dimethylamino)-1,1,1-trifluoropentan-3-ol.
What is the SMILES notation for copper;4-(dimethylamino)-1,1,1-trifluoropentan-3-ol?
The canonical SMILES for copper;4-(dimethylamino)-1,1,1-trifluoropentan-3-ol is CC(C(O)CC(F)(F)F)N(C)C.[Cu].
What is the InChIKey of copper;4-(dimethylamino)-1,1,1-trifluoropentan-3-ol?
The InChIKey is QOWVNWLARYRNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO.Cu/c1-5(11(2)3)6(12)4-7(8,9)10;/h5-6,12H,4H2,1-3H3;.
What are the key properties of copper;4-(dimethylamino)-1,1,1-trifluoropentan-3-ol?
copper;4-(dimethylamino)-1,1,1-trifluoropentan-3-ol has a molecular weight of 248.74 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;4-(dimethylamino)-1,1,1-trifluoropentan-3-ol is sourced from PubChem (CID 169074035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).