3-[2-fluoro-5-(trifluoromethyl)phenyl]morpholine

C11H11F4NO — CID 83439762

IUPAC3-[2-fluoro-5-(trifluoromethyl)phenyl]morpholine
SMILESFc1ccc(C(F)(F)F)cc1C1COCCN1
InChIInChI=1S/C11H11F4NO/c12-9-2-1-7(11(13,14)15)5-8(9)10-6-17-4-3-16-10/h1-2,5,10,16H,3-4,6H2
InChIKeyQPGMJNTYOIUOSE-UHFFFAOYSA-N
MW249.21 g/mol
LogP2.51
Rot. Bonds1

About 3-[2-fluoro-5-(trifluoromethyl)phenyl]morpholine

3-[2-fluoro-5-(trifluoromethyl)phenyl]morpholine (PubChem CID 83439762) has the molecular formula C11H11F4NO and a molecular weight of 249.21 g/mol. Its IUPAC name is 3-[2-fluoro-5-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name3-[2-fluoro-5-(trifluoromethyl)phenyl]morpholine
PubChem CID83439762
Molecular FormulaC11H11F4NO
Molecular Weight249.21 g/mol
Exact Mass249.08
IUPAC Name3-[2-fluoro-5-(trifluoromethyl)phenyl]morpholine
SMILESFc1ccc(C(F)(F)F)cc1C1COCCN1
InChIInChI=1S/C11H11F4NO/c12-9-2-1-7(11(13,14)15)5-8(9)10-6-17-4-3-16-10/h1-2,5,10,16H,3-4,6H2
InChIKeyQPGMJNTYOIUOSE-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3S)-morpholin-3-yl]-4-(trifluoromethyl)phenol
CID 171259740
(3R)-3-[2,4-bis(trifluoromethyl)phenyl]morpholine
CID 171192773
(2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine
CID 66519435
(3R)-3-[4-fluoro-2-(trifluoromethyl)phenyl]morpholine;hydrochloride
CID 171192736
3-fluoro-4-morpholin-3-ylphenol
CID 55271299
(3S)-3-(4-bromo-2-fluorophenyl)morpholine
CID 130618619
3-(2,5-dichlorophenyl)morpholine
CID 126971180
(3R)-3-(2,3,5-trifluorophenyl)morpholine
CID 131262758
4,5-difluoro-2-morpholin-3-ylphenol
CID 84783766
(3R)-3-(2,3-difluorophenyl)morpholine;hydrochloride
CID 171192608
(3S)-3-[3-bromo-5-(trifluoromethyl)phenyl]morpholine
CID 171193208
6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol
CID 131487567

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-5-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 3-[2-fluoro-5-(trifluoromethyl)phenyl]morpholine (CID 83439762) is 3-[2-fluoro-5-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 3-[2-fluoro-5-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 3-[2-fluoro-5-(trifluoromethyl)phenyl]morpholine is Fc1ccc(C(F)(F)F)cc1C1COCCN1.
What is the InChIKey of 3-[2-fluoro-5-(trifluoromethyl)phenyl]morpholine?
The InChIKey is QPGMJNTYOIUOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO/c12-9-2-1-7(11(13,14)15)5-8(9)10-6-17-4-3-16-10/h1-2,5,10,16H,3-4,6H2.
What are the key properties of 3-[2-fluoro-5-(trifluoromethyl)phenyl]morpholine?
3-[2-fluoro-5-(trifluoromethyl)phenyl]morpholine has a molecular weight of 249.21 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-5-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 83439762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).