(1S)-2-morpholin-4-yl-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol

C19H20F3NO2 — CID 126444747

IUPAC(1S)-2-morpholin-4-yl-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol
SMILESO[C@H](CN1CCOCC1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H20F3NO2/c20-19(21,22)17-3-1-2-16(12-17)14-4-6-15(7-5-14)18(24)13-23-8-10-25-11-9-23/h1-7,12,18,24H,8-11,13H2/t18-/m1/s1
InChIKeySHVLTDCFMFLFEZ-GOSISDBHSA-N
MW351.37 g/mol
LogP3.74
Rot. Bonds4

About (1S)-2-morpholin-4-yl-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol

(1S)-2-morpholin-4-yl-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol (PubChem CID 126444747) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is (1S)-2-morpholin-4-yl-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-2-morpholin-4-yl-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol
PubChem CID126444747
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name(1S)-2-morpholin-4-yl-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol
SMILESO[C@H](CN1CCOCC1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H20F3NO2/c20-19(21,22)17-3-1-2-16(12-17)14-4-6-15(7-5-14)18(24)13-23-8-10-25-11-9-23/h1-7,12,18,24H,8-11,13H2/t18-/m1/s1
InChIKeySHVLTDCFMFLFEZ-GOSISDBHSA-N
XLogP3.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-morpholin-4-yl-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol?
The IUPAC name of (1S)-2-morpholin-4-yl-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol (CID 126444747) is (1S)-2-morpholin-4-yl-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol.
What is the SMILES notation for (1S)-2-morpholin-4-yl-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol?
The canonical SMILES for (1S)-2-morpholin-4-yl-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol is O[C@H](CN1CCOCC1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of (1S)-2-morpholin-4-yl-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol?
The InChIKey is SHVLTDCFMFLFEZ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20F3NO2/c20-19(21,22)17-3-1-2-16(12-17)14-4-6-15(7-5-14)18(24)13-23-8-10-25-11-9-23/h1-7,12,18,24H,8-11,13H2/t18-/m1/s1.
What are the key properties of (1S)-2-morpholin-4-yl-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol?
(1S)-2-morpholin-4-yl-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol has a molecular weight of 351.37 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-morpholin-4-yl-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol is sourced from PubChem (CID 126444747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).