1,1,1-trifluoro-3-[oxan-2-ylmethyl(propan-2-yl)amino]propan-2-ol

C12H22F3NO2 — CID 75507584

IUPAC1,1,1-trifluoro-3-[oxan-2-ylmethyl(propan-2-yl)amino]propan-2-ol
SMILESCC(C)N(CC1CCCCO1)CC(O)C(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-9(2)16(8-11(17)12(13,14)15)7-10-5-3-4-6-18-10/h9-11,17H,3-8H2,1-2H3
InChIKeyCQNNVYOEMZSILW-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.19
Rot. Bonds5

About 1,1,1-trifluoro-3-[oxan-2-ylmethyl(propan-2-yl)amino]propan-2-ol

1,1,1-trifluoro-3-[oxan-2-ylmethyl(propan-2-yl)amino]propan-2-ol (PubChem CID 75507584) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[oxan-2-ylmethyl(propan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[oxan-2-ylmethyl(propan-2-yl)amino]propan-2-ol
PubChem CID75507584
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name1,1,1-trifluoro-3-[oxan-2-ylmethyl(propan-2-yl)amino]propan-2-ol
SMILESCC(C)N(CC1CCCCO1)CC(O)C(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-9(2)16(8-11(17)12(13,14)15)7-10-5-3-4-6-18-10/h9-11,17H,3-8H2,1-2H3
InChIKeyCQNNVYOEMZSILW-UHFFFAOYSA-N
XLogP2.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[oxan-2-ylmethyl(propan-2-yl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[oxan-2-ylmethyl(propan-2-yl)amino]propan-2-ol (CID 75507584) is 1,1,1-trifluoro-3-[oxan-2-ylmethyl(propan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[oxan-2-ylmethyl(propan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[oxan-2-ylmethyl(propan-2-yl)amino]propan-2-ol is CC(C)N(CC1CCCCO1)CC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[oxan-2-ylmethyl(propan-2-yl)amino]propan-2-ol?
The InChIKey is CQNNVYOEMZSILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-9(2)16(8-11(17)12(13,14)15)7-10-5-3-4-6-18-10/h9-11,17H,3-8H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-[oxan-2-ylmethyl(propan-2-yl)amino]propan-2-ol?
1,1,1-trifluoro-3-[oxan-2-ylmethyl(propan-2-yl)amino]propan-2-ol has a molecular weight of 269.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[oxan-2-ylmethyl(propan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 75507584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).