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

C12H14ClF4NO2 — CID 171192722

IUPAC(3R)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine;hydrochloride
SMILESCl.FC(F)C(F)(F)Oc1cccc([C@@H]2COCCN2)c1
InChIInChI=1S/C12H13F4NO2.ClH/c13-11(14)12(15,16)19-9-3-1-2-8(6-9)10-7-18-5-4-17-10;/h1-3,6,10-11,17H,4-5,7H2;1H/t10-;/m0./s1
InChIKeyUVRBORJPODUBAM-PPHPATTJSA-N
MW315.69 g/mol
LogP3.01
Rot. Bonds4

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

(3R)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine;hydrochloride (PubChem CID 171192722) has the molecular formula C12H14ClF4NO2 and a molecular weight of 315.69 g/mol. Its IUPAC name is (3R)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine;hydrochloride.

Molecular Properties

Compound Name(3R)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine;hydrochloride
PubChem CID171192722
Molecular FormulaC12H14ClF4NO2
Molecular Weight315.69 g/mol
Exact Mass315.06
IUPAC Name(3R)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine;hydrochloride
SMILESCl.FC(F)C(F)(F)Oc1cccc([C@@H]2COCCN2)c1
InChIInChI=1S/C12H13F4NO2.ClH/c13-11(14)12(15,16)19-9-3-1-2-8(6-9)10-7-18-5-4-17-10;/h1-3,6,10-11,17H,4-5,7H2;1H/t10-;/m0./s1
InChIKeyUVRBORJPODUBAM-PPHPATTJSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.69
LogP ≤ 53.01
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-(3-methoxyphenyl)morpholine
CID 42183281
(3R)-3-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine
CID 171192719
(3S)-3-(3-phenylmethoxyphenyl)morpholine;hydrochloride
CID 171193334
3-[4-(trifluoromethoxy)phenyl]morpholine;hydrochloride
CID 154810211
3-(3-bromophenyl)morpholine;hydrochloride
CID 122156777
(3S)-3-(3-iodophenyl)morpholine;hydrochloride
CID 171193311
(3S)-3-(3-phenylmethoxyphenyl)morpholine
CID 171193333
(2,2,2-trifluoroacetyl) 3-morpholin-3-ylbenzoate
CID 89477811
3-(3-piperidin-4-ylphenyl)morpholine
CID 116988949
(3S)-3-[3-chloro-4-(trifluoromethyl)phenyl]morpholine
CID 171193456
(3S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine
CID 95451553
(3R)-3-[2-(difluoromethoxy)phenyl]morpholine;hydrochloride
CID 171192805

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine;hydrochloride?
The IUPAC name of (3R)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine;hydrochloride (CID 171192722) is (3R)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine;hydrochloride.
What is the SMILES notation for (3R)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine;hydrochloride?
The canonical SMILES for (3R)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine;hydrochloride is Cl.FC(F)C(F)(F)Oc1cccc([C@@H]2COCCN2)c1.
What is the InChIKey of (3R)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine;hydrochloride?
The InChIKey is UVRBORJPODUBAM-PPHPATTJSA-N. The full InChI is InChI=1S/C12H13F4NO2.ClH/c13-11(14)12(15,16)19-9-3-1-2-8(6-9)10-7-18-5-4-17-10;/h1-3,6,10-11,17H,4-5,7H2;1H/t10-;/m0./s1.
What are the key properties of (3R)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine;hydrochloride?
(3R)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine;hydrochloride has a molecular weight of 315.69 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine;hydrochloride is sourced from PubChem (CID 171192722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).