(1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethanol

C13H16F3NO2 — CID 66632774

IUPAC(1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethanol
SMILESC[C@H](O)c1ccc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO2/c1-9(18)10-2-3-12(11(8-10)13(14,15)16)17-4-6-19-7-5-17/h2-3,8-9,18H,4-7H2,1H3/t9-/m0/s1
InChIKeyGACQRYKJZOQTIS-VIFPVBQESA-N
MW275.27 g/mol
LogP2.60
Rot. Bonds2

About (1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethanol

(1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethanol (PubChem CID 66632774) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is (1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethanol
PubChem CID66632774
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name(1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethanol
SMILESC[C@H](O)c1ccc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO2/c1-9(18)10-2-3-12(11(8-10)13(14,15)16)17-4-6-19-7-5-17/h2-3,8-9,18H,4-7H2,1H3/t9-/m0/s1
InChIKeyGACQRYKJZOQTIS-VIFPVBQESA-N
XLogP2.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethanol (CID 66632774) is (1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethanol is C[C@H](O)c1ccc(N2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of (1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is GACQRYKJZOQTIS-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-9(18)10-2-3-12(11(8-10)13(14,15)16)17-4-6-19-7-5-17/h2-3,8-9,18H,4-7H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethanol?
(1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 275.27 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 66632774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).