(2R,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-3-ol

C20H18F7NO3 — CID 10161256

IUPAC(2R,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-3-ol
SMILESC[C@@H](O[C@H]1OCCN[C@@]1(O)c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C20H18F7NO3/c1-11(12-8-14(19(22,23)24)10-15(9-12)20(25,26)27)31-17-18(29,28-6-7-30-17)13-2-4-16(21)5-3-13/h2-5,8-11,17,28-29H,6-7H2,1H3/t11-,17-,18-/m1/s1
InChIKeyLSRUPCWDECHRBR-HWOJHCLVSA-N
MW453.35 g/mol
LogP4.73
Rot. Bonds4

About (2R,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-3-ol

(2R,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-3-ol (PubChem CID 10161256) has the molecular formula C20H18F7NO3 and a molecular weight of 453.35 g/mol. Its IUPAC name is (2R,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-3-ol.

Molecular Properties

Compound Name(2R,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-3-ol
PubChem CID10161256
Molecular FormulaC20H18F7NO3
Molecular Weight453.35 g/mol
Exact Mass453.12
IUPAC Name(2R,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-3-ol
SMILESC[C@@H](O[C@H]1OCCN[C@@]1(O)c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C20H18F7NO3/c1-11(12-8-14(19(22,23)24)10-15(9-12)20(25,26)27)31-17-18(29,28-6-7-30-17)13-2-4-16(21)5-3-13/h2-5,8-11,17,28-29H,6-7H2,1H3/t11-,17-,18-/m1/s1
InChIKeyLSRUPCWDECHRBR-HWOJHCLVSA-N
XLogP4.73
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.35
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-3-ol?
The IUPAC name of (2R,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-3-ol (CID 10161256) is (2R,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-3-ol.
What is the SMILES notation for (2R,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-3-ol?
The canonical SMILES for (2R,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-3-ol is C[C@@H](O[C@H]1OCCN[C@@]1(O)c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of (2R,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-3-ol?
The InChIKey is LSRUPCWDECHRBR-HWOJHCLVSA-N. The full InChI is InChI=1S/C20H18F7NO3/c1-11(12-8-14(19(22,23)24)10-15(9-12)20(25,26)27)31-17-18(29,28-6-7-30-17)13-2-4-16(21)5-3-13/h2-5,8-11,17,28-29H,6-7H2,1H3/t11-,17-,18-/m1/s1.
What are the key properties of (2R,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-3-ol?
(2R,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-3-ol has a molecular weight of 453.35 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-3-ol is sourced from PubChem (CID 10161256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).