5-(2,4-difluorophenyl)-3,3-dimethylmorpholine

C12H15F2NO — CID 82287932

IUPAC5-(2,4-difluorophenyl)-3,3-dimethylmorpholine
SMILESCC1(C)COCC(c2ccc(F)cc2F)N1
InChIInChI=1S/C12H15F2NO/c1-12(2)7-16-6-11(15-12)9-4-3-8(13)5-10(9)14/h3-5,11,15H,6-7H2,1-2H3
InChIKeyULTXNLWMGFUVPG-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.40
Rot. Bonds1

About 5-(2,4-difluorophenyl)-3,3-dimethylmorpholine

5-(2,4-difluorophenyl)-3,3-dimethylmorpholine (PubChem CID 82287932) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-3,3-dimethylmorpholine.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-3,3-dimethylmorpholine
PubChem CID82287932
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name5-(2,4-difluorophenyl)-3,3-dimethylmorpholine
SMILESCC1(C)COCC(c2ccc(F)cc2F)N1
InChIInChI=1S/C12H15F2NO/c1-12(2)7-16-6-11(15-12)9-4-3-8(13)5-10(9)14/h3-5,11,15H,6-7H2,1-2H3
InChIKeyULTXNLWMGFUVPG-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,4-dimethylphenyl)-3,3-dimethylmorpholine
CID 82285994
5-(2-methoxy-5-methylphenyl)-3,3-dimethylmorpholine
CID 82291209
3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)morpholine
CID 82296029
5-(4-bromophenyl)-3,3-dimethylmorpholine
CID 82305856
5-[(3-fluorophenoxy)methyl]-3,3-dimethylmorpholine
CID 82292471
(4S)-4-(2,4-difluorophenyl)-1,3-oxazolidin-2-one
CID 130067450
3-(2,4-difluorophenyl)-2-methyloxiran-2-ol
CID 57033159
3,3-dimethyl-5-(1-methylpyrrol-3-yl)morpholine
CID 82281820
[4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol
CID 23437091
(2R,3R)-2-(2,4-difluorophenyl)-3-methyloxirane
CID 131874606
(2S)-2-(2,4-difluorophenyl)-2-methyloxirane
CID 123185465
6-(3-fluorophenyl)-2,2-dimethylpiperazine
CID 82395314

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-3,3-dimethylmorpholine?
The IUPAC name of 5-(2,4-difluorophenyl)-3,3-dimethylmorpholine (CID 82287932) is 5-(2,4-difluorophenyl)-3,3-dimethylmorpholine.
What is the SMILES notation for 5-(2,4-difluorophenyl)-3,3-dimethylmorpholine?
The canonical SMILES for 5-(2,4-difluorophenyl)-3,3-dimethylmorpholine is CC1(C)COCC(c2ccc(F)cc2F)N1.
What is the InChIKey of 5-(2,4-difluorophenyl)-3,3-dimethylmorpholine?
The InChIKey is ULTXNLWMGFUVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-12(2)7-16-6-11(15-12)9-4-3-8(13)5-10(9)14/h3-5,11,15H,6-7H2,1-2H3.
What are the key properties of 5-(2,4-difluorophenyl)-3,3-dimethylmorpholine?
5-(2,4-difluorophenyl)-3,3-dimethylmorpholine has a molecular weight of 227.25 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-3,3-dimethylmorpholine is sourced from PubChem (CID 82287932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).