2-[3-(difluoromethoxy)phenyl]-4-[1-(furan-2-yl)ethyl]morpholine

C17H19F2NO3 — CID 91650407

IUPAC2-[3-(difluoromethoxy)phenyl]-4-[1-(furan-2-yl)ethyl]morpholine
SMILESCC(c1ccco1)N1CCOC(c2cccc(OC(F)F)c2)C1
InChIInChI=1S/C17H19F2NO3/c1-12(15-6-3-8-21-15)20-7-9-22-16(11-20)13-4-2-5-14(10-13)23-17(18)19/h2-6,8,10,12,16-17H,7,9,11H2,1H3
InChIKeyPBLIJGIWJAGNAC-UHFFFAOYSA-N
MW323.34 g/mol
LogP4.02
Rot. Bonds5

About 2-[3-(difluoromethoxy)phenyl]-4-[1-(furan-2-yl)ethyl]morpholine

2-[3-(difluoromethoxy)phenyl]-4-[1-(furan-2-yl)ethyl]morpholine (PubChem CID 91650407) has the molecular formula C17H19F2NO3 and a molecular weight of 323.34 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)phenyl]-4-[1-(furan-2-yl)ethyl]morpholine.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)phenyl]-4-[1-(furan-2-yl)ethyl]morpholine
PubChem CID91650407
Molecular FormulaC17H19F2NO3
Molecular Weight323.34 g/mol
Exact Mass323.13
IUPAC Name2-[3-(difluoromethoxy)phenyl]-4-[1-(furan-2-yl)ethyl]morpholine
SMILESCC(c1ccco1)N1CCOC(c2cccc(OC(F)F)c2)C1
InChIInChI=1S/C17H19F2NO3/c1-12(15-6-3-8-21-15)20-7-9-22-16(11-20)13-4-2-5-14(10-13)23-17(18)19/h2-6,8,10,12,16-17H,7,9,11H2,1H3
InChIKeyPBLIJGIWJAGNAC-UHFFFAOYSA-N
XLogP4.02
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-but-3-en-2-yl-2-[3-(difluoromethoxy)phenyl]morpholine-4-carboxamide
CID 75391109
(2R)-2-[3-(difluoromethoxy)phenyl]-4-(4,5-dimethylpyrimidin-2-yl)morpholine
CID 124736073
(2R)-2-[3-(difluoromethoxy)phenyl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine
CID 124883718
2-[2-[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-2-oxoethyl]sulfanylacetic acid
CID 120551759
(2R)-2-(3-fluorophenyl)-4-[(1S)-1-phenylethyl]morpholine
CID 67352838
(2S)-2-[3-(difluoromethoxy)phenyl]-4-(2-pyrazol-1-ylethyl)morpholine
CID 124571996
3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid
CID 122029359
[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 75391938
[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 75391940
2-[3-(difluoromethoxy)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 126769237
2-[3-(difluoromethoxy)phenyl]-4-[1-(3-pyrrol-1-ylphenyl)ethenyl]morpholine
CID 156573181
(2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124692216

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)phenyl]-4-[1-(furan-2-yl)ethyl]morpholine?
The IUPAC name of 2-[3-(difluoromethoxy)phenyl]-4-[1-(furan-2-yl)ethyl]morpholine (CID 91650407) is 2-[3-(difluoromethoxy)phenyl]-4-[1-(furan-2-yl)ethyl]morpholine.
What is the SMILES notation for 2-[3-(difluoromethoxy)phenyl]-4-[1-(furan-2-yl)ethyl]morpholine?
The canonical SMILES for 2-[3-(difluoromethoxy)phenyl]-4-[1-(furan-2-yl)ethyl]morpholine is CC(c1ccco1)N1CCOC(c2cccc(OC(F)F)c2)C1.
What is the InChIKey of 2-[3-(difluoromethoxy)phenyl]-4-[1-(furan-2-yl)ethyl]morpholine?
The InChIKey is PBLIJGIWJAGNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO3/c1-12(15-6-3-8-21-15)20-7-9-22-16(11-20)13-4-2-5-14(10-13)23-17(18)19/h2-6,8,10,12,16-17H,7,9,11H2,1H3.
What are the key properties of 2-[3-(difluoromethoxy)phenyl]-4-[1-(furan-2-yl)ethyl]morpholine?
2-[3-(difluoromethoxy)phenyl]-4-[1-(furan-2-yl)ethyl]morpholine has a molecular weight of 323.34 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)phenyl]-4-[1-(furan-2-yl)ethyl]morpholine is sourced from PubChem (CID 91650407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).