2-[4-[(2,4-difluorophenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol

C17H19F2NO2S — CID 111976087

IUPAC2-[4-[(2,4-difluorophenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol
SMILESOC(CC1COCCN1Cc1ccc(F)cc1F)c1cccs1
InChIInChI=1S/C17H19F2NO2S/c18-13-4-3-12(15(19)8-13)10-20-5-6-22-11-14(20)9-16(21)17-2-1-7-23-17/h1-4,7-8,14,16,21H,5-6,9-11H2
InChIKeyYWWOPXJXXJYTCK-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.35
Rot. Bonds5

About 2-[4-[(2,4-difluorophenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol

2-[4-[(2,4-difluorophenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol (PubChem CID 111976087) has the molecular formula C17H19F2NO2S and a molecular weight of 339.41 g/mol. Its IUPAC name is 2-[4-[(2,4-difluorophenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[4-[(2,4-difluorophenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol
PubChem CID111976087
Molecular FormulaC17H19F2NO2S
Molecular Weight339.41 g/mol
Exact Mass339.11
IUPAC Name2-[4-[(2,4-difluorophenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol
SMILESOC(CC1COCCN1Cc1ccc(F)cc1F)c1cccs1
InChIInChI=1S/C17H19F2NO2S/c18-13-4-3-12(15(19)8-13)10-20-5-6-22-11-14(20)9-16(21)17-2-1-7-23-17/h1-4,7-8,14,16,21H,5-6,9-11H2
InChIKeyYWWOPXJXXJYTCK-UHFFFAOYSA-N
XLogP3.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-[(3S)-4-[(2-nitrophenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol
CID 129471112
2-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol
CID 111976076
2-[4-[(3-methoxyphenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol
CID 111977230
2-[4-(2-ethylsulfanylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 111976091
(1S)-2-[(3S)-4-(2-pyridin-4-ylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 124734755
1-thiophen-2-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]ethanol
CID 133419303
(3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]morpholine-4-carboxamide
CID 96535699
methyl 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate
CID 113253204
4-[(4-bromo-2-fluorophenyl)methyl]-3-ethylmorpholine
CID 54971347
5-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]pyrazine-2-carbonitrile
CID 133485968
(2S)-1-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-2-phenylpropan-1-one
CID 122140829
2-[4-(1,3-benzothiazol-2-yl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 133347732

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-difluorophenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[4-[(2,4-difluorophenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol (CID 111976087) is 2-[4-[(2,4-difluorophenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[4-[(2,4-difluorophenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[4-[(2,4-difluorophenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol is OC(CC1COCCN1Cc1ccc(F)cc1F)c1cccs1.
What is the InChIKey of 2-[4-[(2,4-difluorophenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol?
The InChIKey is YWWOPXJXXJYTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO2S/c18-13-4-3-12(15(19)8-13)10-20-5-6-22-11-14(20)9-16(21)17-2-1-7-23-17/h1-4,7-8,14,16,21H,5-6,9-11H2.
What are the key properties of 2-[4-[(2,4-difluorophenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol?
2-[4-[(2,4-difluorophenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol has a molecular weight of 339.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-difluorophenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol is sourced from PubChem (CID 111976087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).