(3S)-3-[2-(trifluoromethoxy)phenyl]morpholine

C11H12F3NO2 — CID 171193298

IUPAC(3S)-3-[2-(trifluoromethoxy)phenyl]morpholine
SMILESFC(F)(F)Oc1ccccc1[C@H]1COCCN1
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)17-10-4-2-1-3-8(10)9-7-16-6-5-15-9/h1-4,9,15H,5-7H2/t9-/m1/s1
InChIKeyVVJQGJMBKWECKN-SECBINFHSA-N
MW247.22 g/mol
LogP2.25
Rot. Bonds2

About (3S)-3-[2-(trifluoromethoxy)phenyl]morpholine

(3S)-3-[2-(trifluoromethoxy)phenyl]morpholine (PubChem CID 171193298) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is (3S)-3-[2-(trifluoromethoxy)phenyl]morpholine.

Molecular Properties

Compound Name(3S)-3-[2-(trifluoromethoxy)phenyl]morpholine
PubChem CID171193298
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name(3S)-3-[2-(trifluoromethoxy)phenyl]morpholine
SMILESFC(F)(F)Oc1ccccc1[C@H]1COCCN1
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)17-10-4-2-1-3-8(10)9-7-16-6-5-15-9/h1-4,9,15H,5-7H2/t9-/m1/s1
InChIKeyVVJQGJMBKWECKN-SECBINFHSA-N
XLogP2.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine
CID 171192719
(3R)-3-[2-(difluoromethoxy)phenyl]morpholine;hydrochloride
CID 171192805
(3R)-3-(2-ethoxyphenyl)morpholine
CID 42183310
2-morpholin-3-ylphenol
CID 55294349
3-[4-(trifluoromethoxy)phenyl]morpholine;hydrochloride
CID 154810211
(2R)-2-[2-(trifluoromethoxy)phenyl]oxirane
CID 83128862
3-(2-bromophenyl)morpholine;hydrochloride
CID 155487565
3-(4-fluoro-2-methoxyphenyl)morpholine
CID 82612677
(3R)-3-(2,3-difluorophenyl)morpholine;hydrochloride
CID 171192608
(3R)-3-naphthalen-1-ylmorpholine;hydrochloride
CID 171192824
(3R)-3-(2-tert-butylsulfanylphenyl)morpholine
CID 171192913
(3R)-3-[2,4-bis(trifluoromethyl)phenyl]morpholine
CID 171192773

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(trifluoromethoxy)phenyl]morpholine?
The IUPAC name of (3S)-3-[2-(trifluoromethoxy)phenyl]morpholine (CID 171193298) is (3S)-3-[2-(trifluoromethoxy)phenyl]morpholine.
What is the SMILES notation for (3S)-3-[2-(trifluoromethoxy)phenyl]morpholine?
The canonical SMILES for (3S)-3-[2-(trifluoromethoxy)phenyl]morpholine is FC(F)(F)Oc1ccccc1[C@H]1COCCN1.
What is the InChIKey of (3S)-3-[2-(trifluoromethoxy)phenyl]morpholine?
The InChIKey is VVJQGJMBKWECKN-SECBINFHSA-N. The full InChI is InChI=1S/C11H12F3NO2/c12-11(13,14)17-10-4-2-1-3-8(10)9-7-16-6-5-15-9/h1-4,9,15H,5-7H2/t9-/m1/s1.
What are the key properties of (3S)-3-[2-(trifluoromethoxy)phenyl]morpholine?
(3S)-3-[2-(trifluoromethoxy)phenyl]morpholine has a molecular weight of 247.22 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(trifluoromethoxy)phenyl]morpholine is sourced from PubChem (CID 171193298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).