2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanol

C13H16F3NO2 — CID 54775900

IUPAC2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanol
SMILESOCC(c1cccc(C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)11-3-1-2-10(8-11)12(9-18)17-4-6-19-7-5-17/h1-3,8,12,18H,4-7,9H2
InChIKeyITHPPOFLRGEMLC-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.07
Rot. Bonds3

About 2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanol

2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 54775900) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID54775900
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanol
SMILESOCC(c1cccc(C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)11-3-1-2-10(8-11)12(9-18)17-4-6-19-7-5-17/h1-3,8,12,18H,4-7,9H2
InChIKeyITHPPOFLRGEMLC-UHFFFAOYSA-N
XLogP2.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 117242900
5-morpholin-4-yl-5-[3-(trifluoromethyl)phenyl]pent-1-en-3-one
CID 68571550
(2S)-2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]acetonitrile
CID 1487174
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 60592666
(3R)-3-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 171173689
2-morpholin-4-yl-2-naphthalen-2-ylethanol
CID 11207615
2-(morpholin-4-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 83021159
3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 117243283
4-[(1R)-1-[4-(trifluoromethyl)phenyl]propyl]morpholine
CID 134949179
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8504243
4-[3-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)phenyl]propyl]morpholine
CID 73332524
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 60592531

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanol (CID 54775900) is 2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanol is OCC(c1cccc(C(F)(F)F)c1)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is ITHPPOFLRGEMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c14-13(15,16)11-3-1-2-10(8-11)12(9-18)17-4-6-19-7-5-17/h1-3,8,12,18H,4-7,9H2.
What are the key properties of 2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanol?
2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 275.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 54775900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).