nickel;4,4,4-trifluoro-2-methyl-1-[methyl(propan-2-yl)amino]butan-2-ol

C9H18F3NNiO — CID 169073997

IUPACnickel;4,4,4-trifluoro-2-methyl-1-[methyl(propan-2-yl)amino]butan-2-ol
SMILESCC(C)N(C)CC(C)(O)CC(F)(F)F.[Ni]
InChIInChI=1S/C9H18F3NO.Ni/c1-7(2)13(4)6-8(3,14)5-9(10,11)12;/h7,14H,5-6H2,1-4H3;
InChIKeyQYNVJCDQEHRCGA-UHFFFAOYSA-N
MW271.94 g/mol
LogP2.03
Rot. Bonds4

About nickel;4,4,4-trifluoro-2-methyl-1-[methyl(propan-2-yl)amino]butan-2-ol

nickel;4,4,4-trifluoro-2-methyl-1-[methyl(propan-2-yl)amino]butan-2-ol (PubChem CID 169073997) has the molecular formula C9H18F3NNiO and a molecular weight of 271.94 g/mol. Its IUPAC name is nickel;4,4,4-trifluoro-2-methyl-1-[methyl(propan-2-yl)amino]butan-2-ol.

Molecular Properties

Compound Namenickel;4,4,4-trifluoro-2-methyl-1-[methyl(propan-2-yl)amino]butan-2-ol
PubChem CID169073997
Molecular FormulaC9H18F3NNiO
Molecular Weight271.94 g/mol
Exact Mass271.07
IUPAC Namenickel;4,4,4-trifluoro-2-methyl-1-[methyl(propan-2-yl)amino]butan-2-ol
SMILESCC(C)N(C)CC(C)(O)CC(F)(F)F.[Ni]
InChIInChI=1S/C9H18F3NO.Ni/c1-7(2)13(4)6-8(3,14)5-9(10,11)12;/h7,14H,5-6H2,1-4H3;
InChIKeyQYNVJCDQEHRCGA-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

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Related Compounds

cobalt;1-[ethyl(propan-2-yl)amino]-4,4,4-trifluoro-2-methylbutan-2-ol
CID 169073934
2-[[di(propan-2-yl)amino]methyl]-1,1,1,4,4,4-hexafluorobutan-2-ol
CID 169074064
N,2,2-trimethyl-N-propan-2-ylpropan-1-amine
CID 23588538
(3S)-2,2-difluoro-N,3,4-trimethyl-N-propan-2-ylpentan-1-amine
CID 176932878
2,2,3,3,4,4-hexafluoro-N-methyl-N-propan-2-ylbutan-1-amine
CID 142573790
2,2-difluoro-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 165464054
3-bromo-N,2,2-trimethyl-N-propan-2-ylpropan-1-amine
CID 65000340
1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butan-2-ol
CID 64820228
2-methyl-1-[methyl(pentan-3-yl)amino]butan-2-ol
CID 114495374
1-N,3-N,2,2-tetramethyl-1-N-propan-2-ylbutane-1,3-diamine
CID 66455555
(1,1,1,5,5,5-hexafluoro-3-methylpentan-3-yl)-propan-2-ylazanide
CID 158348738
3-ethyl-1,1,1-trifluoropentan-3-ol
CID 89115603

Frequently Asked Questions

What is the IUPAC name of nickel;4,4,4-trifluoro-2-methyl-1-[methyl(propan-2-yl)amino]butan-2-ol?
The IUPAC name of nickel;4,4,4-trifluoro-2-methyl-1-[methyl(propan-2-yl)amino]butan-2-ol (CID 169073997) is nickel;4,4,4-trifluoro-2-methyl-1-[methyl(propan-2-yl)amino]butan-2-ol.
What is the SMILES notation for nickel;4,4,4-trifluoro-2-methyl-1-[methyl(propan-2-yl)amino]butan-2-ol?
The canonical SMILES for nickel;4,4,4-trifluoro-2-methyl-1-[methyl(propan-2-yl)amino]butan-2-ol is CC(C)N(C)CC(C)(O)CC(F)(F)F.[Ni].
What is the InChIKey of nickel;4,4,4-trifluoro-2-methyl-1-[methyl(propan-2-yl)amino]butan-2-ol?
The InChIKey is QYNVJCDQEHRCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO.Ni/c1-7(2)13(4)6-8(3,14)5-9(10,11)12;/h7,14H,5-6H2,1-4H3;.
What are the key properties of nickel;4,4,4-trifluoro-2-methyl-1-[methyl(propan-2-yl)amino]butan-2-ol?
nickel;4,4,4-trifluoro-2-methyl-1-[methyl(propan-2-yl)amino]butan-2-ol 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 nickel;4,4,4-trifluoro-2-methyl-1-[methyl(propan-2-yl)amino]butan-2-ol is sourced from PubChem (CID 169073997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).