2-[[di(propan-2-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C10H17F6NO — CID 162436311

IUPAC2-[[di(propan-2-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC(C)N(CC(O)(C(F)(F)F)C(F)(F)F)C(C)C
InChIInChI=1S/C10H17F6NO/c1-6(2)17(7(3)4)5-8(18,9(11,12)13)10(14,15)16/h6-7,18H,5H2,1-4H3
InChIKeyZEMGTGCKNFTUAB-UHFFFAOYSA-N
MW281.24 g/mol
LogP2.96
Rot. Bonds4

About 2-[[di(propan-2-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[[di(propan-2-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 162436311) has the molecular formula C10H17F6NO and a molecular weight of 281.24 g/mol. Its IUPAC name is 2-[[di(propan-2-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[[di(propan-2-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID162436311
Molecular FormulaC10H17F6NO
Molecular Weight281.24 g/mol
Exact Mass281.12
IUPAC Name2-[[di(propan-2-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC(C)N(CC(O)(C(F)(F)F)C(F)(F)F)C(C)C
InChIInChI=1S/C10H17F6NO/c1-6(2)17(7(3)4)5-8(18,9(11,12)13)10(14,15)16/h6-7,18H,5H2,1-4H3
InChIKeyZEMGTGCKNFTUAB-UHFFFAOYSA-N
XLogP2.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[di(propan-2-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[[di(propan-2-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 162436311) is 2-[[di(propan-2-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[[di(propan-2-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[[di(propan-2-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CC(C)N(CC(O)(C(F)(F)F)C(F)(F)F)C(C)C.
What is the InChIKey of 2-[[di(propan-2-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is ZEMGTGCKNFTUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F6NO/c1-6(2)17(7(3)4)5-8(18,9(11,12)13)10(14,15)16/h6-7,18H,5H2,1-4H3.
What are the key properties of 2-[[di(propan-2-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[[di(propan-2-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 281.24 g/mol, XLogP of 2.96, 4 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]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 162436311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).