2-[(tert-butylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C8H13F6NO — CID 12988232

IUPAC2-[(tert-butylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC(C)(C)NCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6NO/c1-5(2,3)15-4-6(16,7(9,10)11)8(12,13)14/h15-16H,4H2,1-3H3
InChIKeyZQCLZGSTPWUYNN-UHFFFAOYSA-N
MW253.19 g/mol
LogP2.23
Rot. Bonds2

About 2-[(tert-butylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[(tert-butylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 12988232) has the molecular formula C8H13F6NO and a molecular weight of 253.19 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID12988232
Molecular FormulaC8H13F6NO
Molecular Weight253.19 g/mol
Exact Mass253.09
IUPAC Name2-[(tert-butylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC(C)(C)NCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6NO/c1-5(2,3)15-4-6(16,7(9,10)11)8(12,13)14/h15-16H,4H2,1-3H3
InChIKeyZQCLZGSTPWUYNN-UHFFFAOYSA-N
XLogP2.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[(tert-butylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 12988232) is 2-[(tert-butylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[(tert-butylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CC(C)(C)NCC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[(tert-butylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is ZQCLZGSTPWUYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F6NO/c1-5(2,3)15-4-6(16,7(9,10)11)8(12,13)14/h15-16H,4H2,1-3H3.
What are the key properties of 2-[(tert-butylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[(tert-butylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 253.19 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 12988232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).