1-(2,4-difluorophenyl)-2-morpholin-3-ylethanol

C12H15F2NO2 — CID 81467090

IUPAC1-(2,4-difluorophenyl)-2-morpholin-3-ylethanol
SMILESOC(CC1COCCN1)c1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO2/c13-8-1-2-10(11(14)5-8)12(16)6-9-7-17-4-3-15-9/h1-2,5,9,12,15-16H,3-4,6-7H2
InChIKeyJAKOGFYLERDKJF-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.38
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-morpholin-3-ylethanol

1-(2,4-difluorophenyl)-2-morpholin-3-ylethanol (PubChem CID 81467090) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-morpholin-3-ylethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-morpholin-3-ylethanol
PubChem CID81467090
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name1-(2,4-difluorophenyl)-2-morpholin-3-ylethanol
SMILESOC(CC1COCCN1)c1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO2/c13-8-1-2-10(11(14)5-8)12(16)6-9-7-17-4-3-15-9/h1-2,5,9,12,15-16H,3-4,6-7H2
InChIKeyJAKOGFYLERDKJF-UHFFFAOYSA-N
XLogP1.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-2-pyrrolidin-2-ylethanol
CID 81466022
1-(2-methoxyphenyl)-2-morpholin-3-ylethanol
CID 81466986
1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone
CID 81465797
3-[(Z)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]morpholine
CID 113462313
1-(4-bromophenyl)-2-morpholin-3-ylethanol
CID 81466682
1-(2,5-difluorophenyl)-2-morpholin-3-ylethanone
CID 81466302
1-(2,5-difluorophenyl)-3-morpholin-3-ylpropan-2-one
CID 116595683
3-[(Z)-3-(4-fluoro-2-methylphenyl)-2-methylprop-2-enyl]morpholine
CID 114350103
2,5-difluoro-N-(morpholin-3-ylmethyl)benzenesulfonamide
CID 103548886
(2,4-difluorophenyl)-(oxan-4-yl)methanol
CID 62905509
1-(4-methylsulfonylphenyl)-2-morpholin-3-ylethanol
CID 81465901
1-(2-fluorophenyl)-N,N-dimethyl-2-morpholin-3-ylethanamine
CID 116911058

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-morpholin-3-ylethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-morpholin-3-ylethanol (CID 81467090) is 1-(2,4-difluorophenyl)-2-morpholin-3-ylethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-morpholin-3-ylethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-morpholin-3-ylethanol is OC(CC1COCCN1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-morpholin-3-ylethanol?
The InChIKey is JAKOGFYLERDKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c13-8-1-2-10(11(14)5-8)12(16)6-9-7-17-4-3-15-9/h1-2,5,9,12,15-16H,3-4,6-7H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-morpholin-3-ylethanol?
1-(2,4-difluorophenyl)-2-morpholin-3-ylethanol has a molecular weight of 243.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-morpholin-3-ylethanol is sourced from PubChem (CID 81467090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).