2-[[di(propan-2-yl)amino]methyl]-1,1,1,4,4,4-hexafluorobutan-2-ol

C11H19F6NO — CID 169074064

IUPAC2-[[di(propan-2-yl)amino]methyl]-1,1,1,4,4,4-hexafluorobutan-2-ol
SMILESCC(C)N(CC(O)(CC(F)(F)F)C(F)(F)F)C(C)C
InChIInChI=1S/C11H19F6NO/c1-7(2)18(8(3)4)6-9(19,11(15,16)17)5-10(12,13)14/h7-8,19H,5-6H2,1-4H3
InChIKeyGHGGIWRJTSWLNK-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.35
Rot. Bonds5

About 2-[[di(propan-2-yl)amino]methyl]-1,1,1,4,4,4-hexafluorobutan-2-ol

2-[[di(propan-2-yl)amino]methyl]-1,1,1,4,4,4-hexafluorobutan-2-ol (PubChem CID 169074064) has the molecular formula C11H19F6NO and a molecular weight of 295.27 g/mol. Its IUPAC name is 2-[[di(propan-2-yl)amino]methyl]-1,1,1,4,4,4-hexafluorobutan-2-ol.

Molecular Properties

Compound Name2-[[di(propan-2-yl)amino]methyl]-1,1,1,4,4,4-hexafluorobutan-2-ol
PubChem CID169074064
Molecular FormulaC11H19F6NO
Molecular Weight295.27 g/mol
Exact Mass295.14
IUPAC Name2-[[di(propan-2-yl)amino]methyl]-1,1,1,4,4,4-hexafluorobutan-2-ol
SMILESCC(C)N(CC(O)(CC(F)(F)F)C(F)(F)F)C(C)C
InChIInChI=1S/C11H19F6NO/c1-7(2)18(8(3)4)6-9(19,11(15,16)17)5-10(12,13)14/h7-8,19H,5-6H2,1-4H3
InChIKeyGHGGIWRJTSWLNK-UHFFFAOYSA-N
XLogP3.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3,3-pentafluoro-N,N-di(propan-2-yl)propan-1-amine
CID 11806562
nickel;4,4,4-trifluoro-2-methyl-1-[methyl(propan-2-yl)amino]butan-2-ol
CID 169073997
CID 169074118
CID 169074118
cobalt;1-[ethyl(propan-2-yl)amino]-4,4,4-trifluoro-2-methylbutan-2-ol
CID 169073934
tert-butyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoate
CID 66337048
1-N-pentan-3-yl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62568842
2-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
CID 64711201
cobalt;1-[di(propan-2-yl)amino]-4,4,4-trifluorobutan-2-ol
CID 169074081
2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
CID 64711396
sodium;N-ethyl-N-propan-2-ylpropan-2-amine;hydride
CID 159603940
2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanamide
CID 64712176
5-methoxy-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine
CID 103391840

Frequently Asked Questions

What is the IUPAC name of 2-[[di(propan-2-yl)amino]methyl]-1,1,1,4,4,4-hexafluorobutan-2-ol?
The IUPAC name of 2-[[di(propan-2-yl)amino]methyl]-1,1,1,4,4,4-hexafluorobutan-2-ol (CID 169074064) is 2-[[di(propan-2-yl)amino]methyl]-1,1,1,4,4,4-hexafluorobutan-2-ol.
What is the SMILES notation for 2-[[di(propan-2-yl)amino]methyl]-1,1,1,4,4,4-hexafluorobutan-2-ol?
The canonical SMILES for 2-[[di(propan-2-yl)amino]methyl]-1,1,1,4,4,4-hexafluorobutan-2-ol is CC(C)N(CC(O)(CC(F)(F)F)C(F)(F)F)C(C)C.
What is the InChIKey of 2-[[di(propan-2-yl)amino]methyl]-1,1,1,4,4,4-hexafluorobutan-2-ol?
The InChIKey is GHGGIWRJTSWLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F6NO/c1-7(2)18(8(3)4)6-9(19,11(15,16)17)5-10(12,13)14/h7-8,19H,5-6H2,1-4H3.
What are the key properties of 2-[[di(propan-2-yl)amino]methyl]-1,1,1,4,4,4-hexafluorobutan-2-ol?
2-[[di(propan-2-yl)amino]methyl]-1,1,1,4,4,4-hexafluorobutan-2-ol has a molecular weight of 295.27 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[di(propan-2-yl)amino]methyl]-1,1,1,4,4,4-hexafluorobutan-2-ol is sourced from PubChem (CID 169074064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).