(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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Related Compounds

(1R)-2-morpholin-4-yl-1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 126446750
(1R)-2-morpholin-4-yl-1-[4-(3-propan-2-yloxyphenyl)phenyl]ethanol
CID 126434347
1-[3,5-bis(trifluoromethyl)phenyl]-2-morpholin-4-ylethanol;fluorobenzene
CID 142102319
3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 117242900
1-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 3678809
3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 117243283
(1S)-1-[4-(3-chloro-4-methoxyphenyl)phenyl]-2-morpholin-4-ylethanol
CID 95125897
1-pyrrolidin-1-yl-3-[4-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
CID 21396081
2-(azepan-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 117244530
(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-morpholin-4-ylethanol
CID 39804559
3-[4-[4-[(1S)-1-hydroxy-2-morpholin-4-ylethyl]phenyl]phenyl]propanoic acid
CID 125445930
3-morpholin-4-yl-1-(4-phenylphenyl)propan-1-ol
CID 3039644

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).