4,5-di(propan-2-yl)-2-[2-[2-(2,2,2-trifluoroethyl)morpholin-4-yl]propyl]morpholine

C19H35F3N2O2 — CID 146614566

IUPAC4,5-di(propan-2-yl)-2-[2-[2-(2,2,2-trifluoroethyl)morpholin-4-yl]propyl]morpholine
SMILESCC(C)C1COC(CC(C)N2CCOC(CC(F)(F)F)C2)CN1C(C)C
InChIInChI=1S/C19H35F3N2O2/c1-13(2)18-12-26-16(11-24(18)14(3)4)8-15(5)23-6-7-25-17(10-23)9-19(20,21)22/h13-18H,6-12H2,1-5H3
InChIKeyYALHMXKKFKFRNW-UHFFFAOYSA-N
MW380.50 g/mol
LogP3.55
Rot. Bonds6

About 4,5-di(propan-2-yl)-2-[2-[2-(2,2,2-trifluoroethyl)morpholin-4-yl]propyl]morpholine

4,5-di(propan-2-yl)-2-[2-[2-(2,2,2-trifluoroethyl)morpholin-4-yl]propyl]morpholine (PubChem CID 146614566) has the molecular formula C19H35F3N2O2 and a molecular weight of 380.50 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)-2-[2-[2-(2,2,2-trifluoroethyl)morpholin-4-yl]propyl]morpholine.

Molecular Properties

Compound Name4,5-di(propan-2-yl)-2-[2-[2-(2,2,2-trifluoroethyl)morpholin-4-yl]propyl]morpholine
PubChem CID146614566
Molecular FormulaC19H35F3N2O2
Molecular Weight380.50 g/mol
Exact Mass380.27
IUPAC Name4,5-di(propan-2-yl)-2-[2-[2-(2,2,2-trifluoroethyl)morpholin-4-yl]propyl]morpholine
SMILESCC(C)C1COC(CC(C)N2CCOC(CC(F)(F)F)C2)CN1C(C)C
InChIInChI=1S/C19H35F3N2O2/c1-13(2)18-12-26-16(11-24(18)14(3)4)8-15(5)23-6-7-25-17(10-23)9-19(20,21)22/h13-18H,6-12H2,1-5H3
InChIKeyYALHMXKKFKFRNW-UHFFFAOYSA-N
XLogP3.55
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)-2-[2-[2-(2,2,2-trifluoroethyl)morpholin-4-yl]propyl]morpholine?
The IUPAC name of 4,5-di(propan-2-yl)-2-[2-[2-(2,2,2-trifluoroethyl)morpholin-4-yl]propyl]morpholine (CID 146614566) is 4,5-di(propan-2-yl)-2-[2-[2-(2,2,2-trifluoroethyl)morpholin-4-yl]propyl]morpholine.
What is the SMILES notation for 4,5-di(propan-2-yl)-2-[2-[2-(2,2,2-trifluoroethyl)morpholin-4-yl]propyl]morpholine?
The canonical SMILES for 4,5-di(propan-2-yl)-2-[2-[2-(2,2,2-trifluoroethyl)morpholin-4-yl]propyl]morpholine is CC(C)C1COC(CC(C)N2CCOC(CC(F)(F)F)C2)CN1C(C)C.
What is the InChIKey of 4,5-di(propan-2-yl)-2-[2-[2-(2,2,2-trifluoroethyl)morpholin-4-yl]propyl]morpholine?
The InChIKey is YALHMXKKFKFRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35F3N2O2/c1-13(2)18-12-26-16(11-24(18)14(3)4)8-15(5)23-6-7-25-17(10-23)9-19(20,21)22/h13-18H,6-12H2,1-5H3.
What are the key properties of 4,5-di(propan-2-yl)-2-[2-[2-(2,2,2-trifluoroethyl)morpholin-4-yl]propyl]morpholine?
4,5-di(propan-2-yl)-2-[2-[2-(2,2,2-trifluoroethyl)morpholin-4-yl]propyl]morpholine has a molecular weight of 380.50 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)-2-[2-[2-(2,2,2-trifluoroethyl)morpholin-4-yl]propyl]morpholine is sourced from PubChem (CID 146614566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).