3-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol;nickel

C9H18F3NNiO — CID 169074098

IUPAC3-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol;nickel
SMILESCCN(CC)C(C)C(C)(O)C(F)(F)F.[Ni]
InChIInChI=1S/C9H18F3NO.Ni/c1-5-13(6-2)7(3)8(4,14)9(10,11)12;/h7,14H,5-6H2,1-4H3;
InChIKeyCXSFSXILMZLQGD-UHFFFAOYSA-N
MW271.94 g/mol
LogP2.03
Rot. Bonds4

About 3-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol;nickel

3-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol;nickel (PubChem CID 169074098) has the molecular formula C9H18F3NNiO and a molecular weight of 271.94 g/mol. Its IUPAC name is 3-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol;nickel.

Molecular Properties

Compound Name3-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol;nickel
PubChem CID169074098
Molecular FormulaC9H18F3NNiO
Molecular Weight271.94 g/mol
Exact Mass271.07
IUPAC Name3-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol;nickel
SMILESCCN(CC)C(C)C(C)(O)C(F)(F)F.[Ni]
InChIInChI=1S/C9H18F3NO.Ni/c1-5-13(6-2)7(3)8(4,14)9(10,11)12;/h7,14H,5-6H2,1-4H3;
InChIKeyCXSFSXILMZLQGD-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.94
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol;nickel 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-(diethylamino)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol;nickel
CID 169074008
2-(diethylamino)-1-iodopropane-1,1-diol
CID 87575576
1-N,1-N,1-N',1-N'-tetraethyl-2,2,2-trifluoroethane-1,1-diamine
CID 10561221
cobalt;1-[ethyl(propan-2-yl)amino]-4,4,4-trifluoro-2-methylbutan-2-ol
CID 169073934
(2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol;hydrochloride
CID 87235150
4-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pentanoic acid
CID 157318706
(2S,3S)-4,4,4-trifluoro-2,3-dihydroxy-3-methylbutanoic acid
CID 124668956
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid
CID 79414186
3-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol
CID 137421832
1-(diethylamino)ethyl 2,2,2-trifluoroacetate
CID 141198748
(2S)-2-(diethylamino)propanoic acid
CID 18664197
1-fluoro-2-(fluoromethyl)-3-methylpentan-2-ol
CID 89097736

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol;nickel?
The IUPAC name of 3-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol;nickel (CID 169074098) is 3-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol;nickel.
What is the SMILES notation for 3-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol;nickel?
The canonical SMILES for 3-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol;nickel is CCN(CC)C(C)C(C)(O)C(F)(F)F.[Ni].
What is the InChIKey of 3-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol;nickel?
The InChIKey is CXSFSXILMZLQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO.Ni/c1-5-13(6-2)7(3)8(4,14)9(10,11)12;/h7,14H,5-6H2,1-4H3;.
What are the key properties of 3-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol;nickel?
3-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol;nickel has a molecular weight of 271.94 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol;nickel is sourced from PubChem (CID 169074098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).