2-(diethylaminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C8H13F6NO — CID 11357219

IUPAC2-(diethylaminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCN(CC)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6NO/c1-3-15(4-2)5-6(16,7(9,10)11)8(12,13)14/h16H,3-5H2,1-2H3
InChIKeyGBHNTUWQTGUWMG-UHFFFAOYSA-N
MW253.19 g/mol
LogP2.18
Rot. Bonds4

About 2-(diethylaminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(diethylaminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 11357219) has the molecular formula C8H13F6NO and a molecular weight of 253.19 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(diethylaminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID11357219
Molecular FormulaC8H13F6NO
Molecular Weight253.19 g/mol
Exact Mass253.09
IUPAC Name2-(diethylaminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCN(CC)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6NO/c1-3-15(4-2)5-6(16,7(9,10)11)8(12,13)14/h16H,3-5H2,1-2H3
InChIKeyGBHNTUWQTGUWMG-UHFFFAOYSA-N
XLogP2.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(diethylaminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 11357219) is 2-(diethylaminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(diethylaminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(diethylaminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is CCN(CC)CC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(diethylaminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is GBHNTUWQTGUWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F6NO/c1-3-15(4-2)5-6(16,7(9,10)11)8(12,13)14/h16H,3-5H2,1-2H3.
What are the key properties of 2-(diethylaminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(diethylaminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 253.19 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 11357219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).