1-(3,4-difluorophenyl)-2-[2-(5-methylfuran-2-yl)morpholin-4-yl]ethanol

C17H19F2NO3 — CID 109397553

IUPAC1-(3,4-difluorophenyl)-2-[2-(5-methylfuran-2-yl)morpholin-4-yl]ethanol
SMILESCc1ccc(C2CN(CC(O)c3ccc(F)c(F)c3)CCO2)o1
InChIInChI=1S/C17H19F2NO3/c1-11-2-5-16(23-11)17-10-20(6-7-22-17)9-15(21)12-3-4-13(18)14(19)8-12/h2-5,8,15,17,21H,6-7,9-10H2,1H3
InChIKeyNUFJVDKEGZBZQC-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.97
Rot. Bonds4

About 1-(3,4-difluorophenyl)-2-[2-(5-methylfuran-2-yl)morpholin-4-yl]ethanol

1-(3,4-difluorophenyl)-2-[2-(5-methylfuran-2-yl)morpholin-4-yl]ethanol (PubChem CID 109397553) has the molecular formula C17H19F2NO3 and a molecular weight of 323.34 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[2-(5-methylfuran-2-yl)morpholin-4-yl]ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[2-(5-methylfuran-2-yl)morpholin-4-yl]ethanol
PubChem CID109397553
Molecular FormulaC17H19F2NO3
Molecular Weight323.34 g/mol
Exact Mass323.13
IUPAC Name1-(3,4-difluorophenyl)-2-[2-(5-methylfuran-2-yl)morpholin-4-yl]ethanol
SMILESCc1ccc(C2CN(CC(O)c3ccc(F)c(F)c3)CCO2)o1
InChIInChI=1S/C17H19F2NO3/c1-11-2-5-16(23-11)17-10-20(6-7-22-17)9-15(21)12-3-4-13(18)14(19)8-12/h2-5,8,15,17,21H,6-7,9-10H2,1H3
InChIKeyNUFJVDKEGZBZQC-UHFFFAOYSA-N
XLogP2.97
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-{[5-(Hydroxymethyl)-2-furyl]methyl}-3-piperidinyl)[4-(trifluoromethyl)phenyl]methanone
CID 16190587
3-(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperazin-1-yl)-1-furan-2-yl-propan-1-ol
CID 44278722
3-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-yl]-1-furan-2-yl-propan-1-ol
CID 44278840
2-(1-Benzylpiperidin-4-yl)-1-(furan-2-yl)ethanol;hydrate
CID 44358025
(3-Benzyl-1-{[5-(methoxymethyl)-2-furyl]methyl}piperidin-3-yl)methanol
CID 16188641
[5-({3-[2-(2,6-Difluorophenyl)ethyl]-1-piperidinyl}methyl)-2-furyl]methanol
CID 45200948
2-[[benzyl-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-5-hydroxypyran-4-one
CID 97005144
[(4-Fluorophenyl)methyl]({3-[(furan-2-YL)methoxy]-2-hydroxypropyl})(2-methoxyethyl)amine
CID 24713374
2-[5-[[(4-Fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]propan-2-ol
CID 24714356
(5-{[({1-[2-(3-Fluorophenyl)ethyl]-4-piperidinyl}methyl)(methyl)amino]methyl}-2-furyl)methanol
CID 25456584
[5-({3-[2-(3,4-Difluorophenyl)ethyl]-1-piperidinyl}methyl)-2-furyl]methanol
CID 45177492
(5-{[2-(3-Fluorobenzyl)-4-morpholinyl]methyl}-2-furyl)methanol
CID 45206277

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[2-(5-methylfuran-2-yl)morpholin-4-yl]ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[2-(5-methylfuran-2-yl)morpholin-4-yl]ethanol (CID 109397553) is 1-(3,4-difluorophenyl)-2-[2-(5-methylfuran-2-yl)morpholin-4-yl]ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[2-(5-methylfuran-2-yl)morpholin-4-yl]ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[2-(5-methylfuran-2-yl)morpholin-4-yl]ethanol is Cc1ccc(C2CN(CC(O)c3ccc(F)c(F)c3)CCO2)o1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[2-(5-methylfuran-2-yl)morpholin-4-yl]ethanol?
The InChIKey is NUFJVDKEGZBZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO3/c1-11-2-5-16(23-11)17-10-20(6-7-22-17)9-15(21)12-3-4-13(18)14(19)8-12/h2-5,8,15,17,21H,6-7,9-10H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[2-(5-methylfuran-2-yl)morpholin-4-yl]ethanol?
1-(3,4-difluorophenyl)-2-[2-(5-methylfuran-2-yl)morpholin-4-yl]ethanol has a molecular weight of 323.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[2-(5-methylfuran-2-yl)morpholin-4-yl]ethanol is sourced from PubChem (CID 109397553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).