4-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)phenol

C14H18F3NO2 — CID 170869662

IUPAC4-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)phenol
SMILESOc1ccc(CCCN2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)12-10-11(3-4-13(12)19)2-1-5-18-6-8-20-9-7-18/h3-4,10,19H,1-2,5-9H2
InChIKeyMLURWBBFPZIHBH-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.68
Rot. Bonds4

About 4-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)phenol

4-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)phenol (PubChem CID 170869662) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)phenol
PubChem CID170869662
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name4-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)phenol
SMILESOc1ccc(CCCN2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)12-10-11(3-4-13(12)19)2-1-5-18-6-8-20-9-7-18/h3-4,10,19H,1-2,5-9H2
InChIKeyMLURWBBFPZIHBH-UHFFFAOYSA-N
XLogP2.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)phenol?
The IUPAC name of 4-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)phenol (CID 170869662) is 4-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)phenol.
What is the SMILES notation for 4-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)phenol?
The canonical SMILES for 4-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)phenol is Oc1ccc(CCCN2CCOCC2)cc1C(F)(F)F.
What is the InChIKey of 4-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)phenol?
The InChIKey is MLURWBBFPZIHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c15-14(16,17)12-10-11(3-4-13(12)19)2-1-5-18-6-8-20-9-7-18/h3-4,10,19H,1-2,5-9H2.
What are the key properties of 4-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)phenol?
4-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)phenol has a molecular weight of 289.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)phenol is sourced from PubChem (CID 170869662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).