(3R)-3-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine

C12H13F4NO2 — CID 171192719

IUPAC(3R)-3-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine
SMILESFC(F)C(F)(F)Oc1ccccc1[C@@H]1COCCN1
InChIInChI=1S/C12H13F4NO2/c13-11(14)12(15,16)19-10-4-2-1-3-8(10)9-7-18-6-5-17-9/h1-4,9,11,17H,5-7H2/t9-/m0/s1
InChIKeyXSNDANUOKQCHEV-VIFPVBQESA-N
MW279.23 g/mol
LogP2.58
Rot. Bonds4

About (3R)-3-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine

(3R)-3-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine (PubChem CID 171192719) has the molecular formula C12H13F4NO2 and a molecular weight of 279.23 g/mol. Its IUPAC name is (3R)-3-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine.

Molecular Properties

Compound Name(3R)-3-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine
PubChem CID171192719
Molecular FormulaC12H13F4NO2
Molecular Weight279.23 g/mol
Exact Mass279.09
IUPAC Name(3R)-3-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine
SMILESFC(F)C(F)(F)Oc1ccccc1[C@@H]1COCCN1
InChIInChI=1S/C12H13F4NO2/c13-11(14)12(15,16)19-10-4-2-1-3-8(10)9-7-18-6-5-17-9/h1-4,9,11,17H,5-7H2/t9-/m0/s1
InChIKeyXSNDANUOKQCHEV-VIFPVBQESA-N
XLogP2.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[2-(trifluoromethoxy)phenyl]morpholine
CID 171193298
(3R)-3-[2-(difluoromethoxy)phenyl]morpholine;hydrochloride
CID 171192805
(2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolidine
CID 171195993
(2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]azetidine;hydrochloride
CID 171197337
(3R)-3-(2-ethoxyphenyl)morpholine
CID 42183310
(3R)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine;hydrochloride
CID 171192722
3-(2-bromophenyl)morpholine;hydrochloride
CID 155487565
2-morpholin-3-ylphenol
CID 55294349
(3R)-3-(2-tert-butylsulfanylphenyl)morpholine
CID 171192913
3-(4-fluoro-2-methoxyphenyl)morpholine
CID 82612677
3-(2-pyrrolidin-1-ylphenyl)morpholine
CID 82619779
(3R)-3-naphthalen-1-ylmorpholine;hydrochloride
CID 171192824

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine?
The IUPAC name of (3R)-3-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine (CID 171192719) is (3R)-3-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine.
What is the SMILES notation for (3R)-3-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine?
The canonical SMILES for (3R)-3-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine is FC(F)C(F)(F)Oc1ccccc1[C@@H]1COCCN1.
What is the InChIKey of (3R)-3-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine?
The InChIKey is XSNDANUOKQCHEV-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13F4NO2/c13-11(14)12(15,16)19-10-4-2-1-3-8(10)9-7-18-6-5-17-9/h1-4,9,11,17H,5-7H2/t9-/m0/s1.
What are the key properties of (3R)-3-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine?
(3R)-3-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine has a molecular weight of 279.23 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine is sourced from PubChem (CID 171192719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).