(3R)-4-(3,4-diethyl-5-propan-2-ylphenyl)-3-(trifluoromethyl)morpholine

C18H26F3NO — CID 177030074

IUPAC(3R)-4-(3,4-diethyl-5-propan-2-ylphenyl)-3-(trifluoromethyl)morpholine
SMILESCCc1cc(N2CCOC[C@@H]2C(F)(F)F)cc(C(C)C)c1CC
InChIInChI=1S/C18H26F3NO/c1-5-13-9-14(10-16(12(3)4)15(13)6-2)22-7-8-23-11-17(22)18(19,20)21/h9-10,12,17H,5-8,11H2,1-4H3/t17-/m1/s1
InChIKeyNJEPQIBUXKIFNJ-QGZVFWFLSA-N
MW329.41 g/mol
LogP4.70
Rot. Bonds4

About (3R)-4-(3,4-diethyl-5-propan-2-ylphenyl)-3-(trifluoromethyl)morpholine

(3R)-4-(3,4-diethyl-5-propan-2-ylphenyl)-3-(trifluoromethyl)morpholine (PubChem CID 177030074) has the molecular formula C18H26F3NO and a molecular weight of 329.41 g/mol. Its IUPAC name is (3R)-4-(3,4-diethyl-5-propan-2-ylphenyl)-3-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(3R)-4-(3,4-diethyl-5-propan-2-ylphenyl)-3-(trifluoromethyl)morpholine
PubChem CID177030074
Molecular FormulaC18H26F3NO
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name(3R)-4-(3,4-diethyl-5-propan-2-ylphenyl)-3-(trifluoromethyl)morpholine
SMILESCCc1cc(N2CCOC[C@@H]2C(F)(F)F)cc(C(C)C)c1CC
InChIInChI=1S/C18H26F3NO/c1-5-13-9-14(10-16(12(3)4)15(13)6-2)22-7-8-23-11-17(22)18(19,20)21/h9-10,12,17H,5-8,11H2,1-4H3/t17-/m1/s1
InChIKeyNJEPQIBUXKIFNJ-QGZVFWFLSA-N
XLogP4.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-(3,4-diethyl-5-propan-2-ylphenyl)-3-(trifluoromethyl)morpholine?
The IUPAC name of (3R)-4-(3,4-diethyl-5-propan-2-ylphenyl)-3-(trifluoromethyl)morpholine (CID 177030074) is (3R)-4-(3,4-diethyl-5-propan-2-ylphenyl)-3-(trifluoromethyl)morpholine.
What is the SMILES notation for (3R)-4-(3,4-diethyl-5-propan-2-ylphenyl)-3-(trifluoromethyl)morpholine?
The canonical SMILES for (3R)-4-(3,4-diethyl-5-propan-2-ylphenyl)-3-(trifluoromethyl)morpholine is CCc1cc(N2CCOC[C@@H]2C(F)(F)F)cc(C(C)C)c1CC.
What is the InChIKey of (3R)-4-(3,4-diethyl-5-propan-2-ylphenyl)-3-(trifluoromethyl)morpholine?
The InChIKey is NJEPQIBUXKIFNJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26F3NO/c1-5-13-9-14(10-16(12(3)4)15(13)6-2)22-7-8-23-11-17(22)18(19,20)21/h9-10,12,17H,5-8,11H2,1-4H3/t17-/m1/s1.
What are the key properties of (3R)-4-(3,4-diethyl-5-propan-2-ylphenyl)-3-(trifluoromethyl)morpholine?
(3R)-4-(3,4-diethyl-5-propan-2-ylphenyl)-3-(trifluoromethyl)morpholine has a molecular weight of 329.41 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(3,4-diethyl-5-propan-2-ylphenyl)-3-(trifluoromethyl)morpholine is sourced from PubChem (CID 177030074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).