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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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).