(3R)-3-[2,4-bis(trifluoromethyl)phenyl]morpholine

C12H11F6NO — CID 171192773

IUPAC(3R)-3-[2,4-bis(trifluoromethyl)phenyl]morpholine
SMILESFC(F)(F)c1ccc([C@@H]2COCCN2)c(C(F)(F)F)c1
InChIInChI=1S/C12H11F6NO/c13-11(14,15)7-1-2-8(9(5-7)12(16,17)18)10-6-20-4-3-19-10/h1-2,5,10,19H,3-4,6H2/t10-/m0/s1
InChIKeyRYRWPPHYBCPPRM-JTQLQIEISA-N
MW299.21 g/mol
LogP3.39
Rot. Bonds1

About (3R)-3-[2,4-bis(trifluoromethyl)phenyl]morpholine

(3R)-3-[2,4-bis(trifluoromethyl)phenyl]morpholine (PubChem CID 171192773) has the molecular formula C12H11F6NO and a molecular weight of 299.21 g/mol. Its IUPAC name is (3R)-3-[2,4-bis(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name(3R)-3-[2,4-bis(trifluoromethyl)phenyl]morpholine
PubChem CID171192773
Molecular FormulaC12H11F6NO
Molecular Weight299.21 g/mol
Exact Mass299.07
IUPAC Name(3R)-3-[2,4-bis(trifluoromethyl)phenyl]morpholine
SMILESFC(F)(F)c1ccc([C@@H]2COCCN2)c(C(F)(F)F)c1
InChIInChI=1S/C12H11F6NO/c13-11(14,15)7-1-2-8(9(5-7)12(16,17)18)10-6-20-4-3-19-10/h1-2,5,10,19H,3-4,6H2/t10-/m0/s1
InChIKeyRYRWPPHYBCPPRM-JTQLQIEISA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[4-fluoro-2-(trifluoromethyl)phenyl]morpholine;hydrochloride
CID 171192736
3-[2-fluoro-5-(trifluoromethyl)phenyl]morpholine
CID 83439762
2-[(3S)-morpholin-3-yl]-4-(trifluoromethyl)phenol
CID 171259740
(2R)-2-[2,4-bis(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171194540
(2R)-2-[2,4-bis(trifluoromethyl)phenyl]pyrrolidine
CID 171196029
(3S)-3-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]morpholine
CID 171193437
(3S)-3-[3-bromo-5-(trifluoromethyl)phenyl]morpholine
CID 171193208
4-bromo-2-[(3R)-morpholin-3-yl]-6-(trifluoromethyl)phenol
CID 171259729
5-fluoro-2-[(3S)-morpholin-3-yl]phenol
CID 55262699
(3S)-3-[3-chloro-4-(trifluoromethyl)phenyl]morpholine
CID 171193456
[2-[3-[(3R)-morpholin-3-yl]phenyl]-5-(trifluoromethyl)phenyl]methanol
CID 164636685
(3S)-3-[2-(trifluoromethoxy)phenyl]morpholine
CID 171193298

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2,4-bis(trifluoromethyl)phenyl]morpholine?
The IUPAC name of (3R)-3-[2,4-bis(trifluoromethyl)phenyl]morpholine (CID 171192773) is (3R)-3-[2,4-bis(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for (3R)-3-[2,4-bis(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for (3R)-3-[2,4-bis(trifluoromethyl)phenyl]morpholine is FC(F)(F)c1ccc([C@@H]2COCCN2)c(C(F)(F)F)c1.
What is the InChIKey of (3R)-3-[2,4-bis(trifluoromethyl)phenyl]morpholine?
The InChIKey is RYRWPPHYBCPPRM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H11F6NO/c13-11(14,15)7-1-2-8(9(5-7)12(16,17)18)10-6-20-4-3-19-10/h1-2,5,10,19H,3-4,6H2/t10-/m0/s1.
What are the key properties of (3R)-3-[2,4-bis(trifluoromethyl)phenyl]morpholine?
(3R)-3-[2,4-bis(trifluoromethyl)phenyl]morpholine has a molecular weight of 299.21 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2,4-bis(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 171192773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).