(3R)-3-[4-fluoro-2-(trifluoromethyl)phenyl]morpholine;hydrochloride

C11H12ClF4NO — CID 171192736

IUPAC(3R)-3-[4-fluoro-2-(trifluoromethyl)phenyl]morpholine;hydrochloride
SMILESCl.Fc1ccc([C@@H]2COCCN2)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F4NO.ClH/c12-7-1-2-8(9(5-7)11(13,14)15)10-6-17-4-3-16-10;/h1-2,5,10,16H,3-4,6H2;1H/t10-;/m0./s1
InChIKeyDVUVMHIMBKPREL-PPHPATTJSA-N
MW285.67 g/mol
LogP2.93
Rot. Bonds1

About (3R)-3-[4-fluoro-2-(trifluoromethyl)phenyl]morpholine;hydrochloride

(3R)-3-[4-fluoro-2-(trifluoromethyl)phenyl]morpholine;hydrochloride (PubChem CID 171192736) has the molecular formula C11H12ClF4NO and a molecular weight of 285.67 g/mol. Its IUPAC name is (3R)-3-[4-fluoro-2-(trifluoromethyl)phenyl]morpholine;hydrochloride.

Molecular Properties

Compound Name(3R)-3-[4-fluoro-2-(trifluoromethyl)phenyl]morpholine;hydrochloride
PubChem CID171192736
Molecular FormulaC11H12ClF4NO
Molecular Weight285.67 g/mol
Exact Mass285.05
IUPAC Name(3R)-3-[4-fluoro-2-(trifluoromethyl)phenyl]morpholine;hydrochloride
SMILESCl.Fc1ccc([C@@H]2COCCN2)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F4NO.ClH/c12-7-1-2-8(9(5-7)11(13,14)15)10-6-17-4-3-16-10;/h1-2,5,10,16H,3-4,6H2;1H/t10-;/m0./s1
InChIKeyDVUVMHIMBKPREL-PPHPATTJSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.67
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[2,4-bis(trifluoromethyl)phenyl]morpholine
CID 171192773
5-fluoro-2-[(3S)-morpholin-3-yl]phenol
CID 55262699
2-[4-fluoro-2-(trifluoromethyl)phenyl]azetidine
CID 79016148
3-(4-fluoro-2-methoxyphenyl)morpholine
CID 82612677
(2S)-2-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine
CID 66519451
3-[2-fluoro-5-(trifluoromethyl)phenyl]morpholine
CID 83439762
(3S)-3-(4-fluorophenyl)morpholine
CID 22860769
(3R)-3-(2,3-difluorophenyl)morpholine;hydrochloride
CID 171192608
4-bromo-2-[(3R)-morpholin-3-yl]-6-(trifluoromethyl)phenol
CID 171259729
(3S)-3-(4-bromo-2-fluorophenyl)morpholine
CID 130618619
3-fluoro-4-morpholin-3-ylphenol
CID 55271299
(3S)-3-[3-chloro-4-(trifluoromethyl)phenyl]morpholine
CID 171193456

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-fluoro-2-(trifluoromethyl)phenyl]morpholine;hydrochloride?
The IUPAC name of (3R)-3-[4-fluoro-2-(trifluoromethyl)phenyl]morpholine;hydrochloride (CID 171192736) is (3R)-3-[4-fluoro-2-(trifluoromethyl)phenyl]morpholine;hydrochloride.
What is the SMILES notation for (3R)-3-[4-fluoro-2-(trifluoromethyl)phenyl]morpholine;hydrochloride?
The canonical SMILES for (3R)-3-[4-fluoro-2-(trifluoromethyl)phenyl]morpholine;hydrochloride is Cl.Fc1ccc([C@@H]2COCCN2)c(C(F)(F)F)c1.
What is the InChIKey of (3R)-3-[4-fluoro-2-(trifluoromethyl)phenyl]morpholine;hydrochloride?
The InChIKey is DVUVMHIMBKPREL-PPHPATTJSA-N. The full InChI is InChI=1S/C11H11F4NO.ClH/c12-7-1-2-8(9(5-7)11(13,14)15)10-6-17-4-3-16-10;/h1-2,5,10,16H,3-4,6H2;1H/t10-;/m0./s1.
What are the key properties of (3R)-3-[4-fluoro-2-(trifluoromethyl)phenyl]morpholine;hydrochloride?
(3R)-3-[4-fluoro-2-(trifluoromethyl)phenyl]morpholine;hydrochloride has a molecular weight of 285.67 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-fluoro-2-(trifluoromethyl)phenyl]morpholine;hydrochloride is sourced from PubChem (CID 171192736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).