4,4,4-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)butan-1-ol

C11H20F3NO2 — CID 79665375

IUPAC4,4,4-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)butan-1-ol
SMILESCC(C)N1CCOC(C(O)CCC(F)(F)F)C1
InChIInChI=1S/C11H20F3NO2/c1-8(2)15-5-6-17-10(7-15)9(16)3-4-11(12,13)14/h8-10,16H,3-7H2,1-2H3
InChIKeyFWPAVEAMMOAODR-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.80
Rot. Bonds4

About 4,4,4-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)butan-1-ol

4,4,4-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)butan-1-ol (PubChem CID 79665375) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)butan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)butan-1-ol
PubChem CID79665375
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name4,4,4-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)butan-1-ol
SMILESCC(C)N1CCOC(C(O)CCC(F)(F)F)C1
InChIInChI=1S/C11H20F3NO2/c1-8(2)15-5-6-17-10(7-15)9(16)3-4-11(12,13)14/h8-10,16H,3-7H2,1-2H3
InChIKeyFWPAVEAMMOAODR-UHFFFAOYSA-N
XLogP1.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)butan-1-ol?
The IUPAC name of 4,4,4-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)butan-1-ol (CID 79665375) is 4,4,4-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)butan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)butan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)butan-1-ol is CC(C)N1CCOC(C(O)CCC(F)(F)F)C1.
What is the InChIKey of 4,4,4-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)butan-1-ol?
The InChIKey is FWPAVEAMMOAODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-8(2)15-5-6-17-10(7-15)9(16)3-4-11(12,13)14/h8-10,16H,3-7H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)butan-1-ol?
4,4,4-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)butan-1-ol has a molecular weight of 255.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)butan-1-ol is sourced from PubChem (CID 79665375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).