(2R,3S)-4-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)morpholin-2-ol

C20H18F7NO2 — CID 142102328

IUPAC(2R,3S)-4-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)morpholin-2-ol
SMILESO[C@@H]1OCCN(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C20H18F7NO2/c21-16-3-1-13(2-4-16)17-18(29)30-8-7-28(17)6-5-12-9-14(19(22,23)24)11-15(10-12)20(25,26)27/h1-4,9-11,17-18,29H,5-8H2/t17-,18+/m0/s1
InChIKeyLEIQGPSQSMMVCE-ZWKOTPCHSA-N
MW437.36 g/mol
LogP4.80
Rot. Bonds4

About (2R,3S)-4-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)morpholin-2-ol

(2R,3S)-4-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)morpholin-2-ol (PubChem CID 142102328) has the molecular formula C20H18F7NO2 and a molecular weight of 437.36 g/mol. Its IUPAC name is (2R,3S)-4-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)morpholin-2-ol.

Molecular Properties

Compound Name(2R,3S)-4-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)morpholin-2-ol
PubChem CID142102328
Molecular FormulaC20H18F7NO2
Molecular Weight437.36 g/mol
Exact Mass437.12
IUPAC Name(2R,3S)-4-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)morpholin-2-ol
SMILESO[C@@H]1OCCN(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C20H18F7NO2/c21-16-3-1-13(2-4-16)17-18(29)30-8-7-28(17)6-5-12-9-14(19(22,23)24)11-15(10-12)20(25,26)27/h1-4,9-11,17-18,29H,5-8H2/t17-,18+/m0/s1
InChIKeyLEIQGPSQSMMVCE-ZWKOTPCHSA-N
XLogP4.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.36
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)morpholin-2-ol?
The IUPAC name of (2R,3S)-4-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)morpholin-2-ol (CID 142102328) is (2R,3S)-4-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)morpholin-2-ol.
What is the SMILES notation for (2R,3S)-4-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)morpholin-2-ol?
The canonical SMILES for (2R,3S)-4-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)morpholin-2-ol is O[C@@H]1OCCN(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2R,3S)-4-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)morpholin-2-ol?
The InChIKey is LEIQGPSQSMMVCE-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H18F7NO2/c21-16-3-1-13(2-4-16)17-18(29)30-8-7-28(17)6-5-12-9-14(19(22,23)24)11-15(10-12)20(25,26)27/h1-4,9-11,17-18,29H,5-8H2/t17-,18+/m0/s1.
What are the key properties of (2R,3S)-4-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)morpholin-2-ol?
(2R,3S)-4-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)morpholin-2-ol has a molecular weight of 437.36 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)morpholin-2-ol is sourced from PubChem (CID 142102328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).