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

C9H15F6NNiO — CID 169074008

IUPAC3-(diethylamino)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol;nickel
SMILESCCN(CC)C(C)C(O)(C(F)(F)F)C(F)(F)F.[Ni]
InChIInChI=1S/C9H15F6NO.Ni/c1-4-16(5-2)6(3)7(17,8(10,11)12)9(13,14)15;/h6,17H,4-5H2,1-3H3;
InChIKeyYJXXGAOMPKGSGC-UHFFFAOYSA-N
MW325.91 g/mol
LogP2.57
Rot. Bonds4

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

3-(diethylamino)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol;nickel (PubChem CID 169074008) has the molecular formula C9H15F6NNiO and a molecular weight of 325.91 g/mol. Its IUPAC name is 3-(diethylamino)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol;nickel.

Molecular Properties

Compound Name3-(diethylamino)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol;nickel
PubChem CID169074008
Molecular FormulaC9H15F6NNiO
Molecular Weight325.91 g/mol
Exact Mass325.04
IUPAC Name3-(diethylamino)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol;nickel
SMILESCCN(CC)C(C)C(O)(C(F)(F)F)C(F)(F)F.[Ni]
InChIInChI=1S/C9H15F6NO.Ni/c1-4-16(5-2)6(3)7(17,8(10,11)12)9(13,14)15;/h6,17H,4-5H2,1-3H3;
InChIKeyYJXXGAOMPKGSGC-UHFFFAOYSA-N
XLogP2.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.91
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol;nickel
CID 169074098
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
3-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol
CID 137421832
cobalt;1-[ethyl(propan-2-yl)amino]-4,4,4-trifluoro-2-methylbutan-2-ol
CID 169073934
1-(diethylamino)ethyl 2,2,2-trifluoroacetate
CID 141198748
1-fluoro-2-(fluoromethyl)-3-methylpentan-2-ol
CID 89097736
(2R,3S)-2-fluoro-3,4-dimethylpentan-2-ol
CID 126592685
3-[2-(diethylamino)-3-(dimethylamino)pentan-3-yl]oxy-2-N,2-N-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 135369328
N-ethyl-3,3,3-trifluoro-N-(1-fluoroethyl)propan-1-amine
CID 141407063
cobalt;3-[ethyl(methyl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol
CID 169074068
tert-butyl 2-[ethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 64686559

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol;nickel?
The IUPAC name of 3-(diethylamino)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol;nickel (CID 169074008) is 3-(diethylamino)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol;nickel.
What is the SMILES notation for 3-(diethylamino)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol;nickel?
The canonical SMILES for 3-(diethylamino)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol;nickel is CCN(CC)C(C)C(O)(C(F)(F)F)C(F)(F)F.[Ni].
What is the InChIKey of 3-(diethylamino)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol;nickel?
The InChIKey is YJXXGAOMPKGSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F6NO.Ni/c1-4-16(5-2)6(3)7(17,8(10,11)12)9(13,14)15;/h6,17H,4-5H2,1-3H3;.
What are the key properties of 3-(diethylamino)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol;nickel?
3-(diethylamino)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol;nickel has a molecular weight of 325.91 g/mol, XLogP of 2.57, 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-(trifluoromethyl)butan-2-ol;nickel is sourced from PubChem (CID 169074008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).