3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol

C14H18F3NO2 — CID 117242900

IUPAC3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESOCC(CN1CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)13-3-1-2-11(8-13)12(10-19)9-18-4-6-20-7-5-18/h1-3,8,12,19H,4-7,9-10H2
InChIKeyCYLXPSNWPUYOKU-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.11
Rot. Bonds4

About 3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol

3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 117242900) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID117242900
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESOCC(CN1CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)13-3-1-2-11(8-13)12(10-19)9-18-4-6-20-7-5-18/h1-3,8,12,19H,4-7,9-10H2
InChIKeyCYLXPSNWPUYOKU-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanol
CID 54775900
3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 117243283
(1S)-2-morpholin-4-yl-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol
CID 126444747
(2S)-2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]acetonitrile
CID 1487174
2-(morpholin-4-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 83021159
1-[3,5-bis(trifluoromethyl)phenyl]-2-morpholin-4-ylethanol;fluorobenzene
CID 142102319
3-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 117244790
3-morpholin-4-yl-2-thiophen-2-ylpropan-1-ol
CID 117240417
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 8844992
5-morpholin-4-yl-5-[3-(trifluoromethyl)phenyl]pent-1-en-3-one
CID 68571550
4-[3-phenyl-3-[3-(trifluoromethyl)phenoxy]propyl]morpholine
CID 42867737
3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 117243023

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol (CID 117242900) is 3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol is OCC(CN1CCOCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is CYLXPSNWPUYOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c15-14(16,17)13-3-1-2-11(8-13)12(10-19)9-18-4-6-20-7-5-18/h1-3,8,12,19H,4-7,9-10H2.
What are the key properties of 3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol?
3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 289.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 117242900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).