2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone

C14H18FNO4 — CID 107720138

IUPAC2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
SMILESC[C@@H](O)c1ccc(OCC(=O)N2CCOCC2)cc1F
InChIInChI=1S/C14H18FNO4/c1-10(17)12-3-2-11(8-13(12)15)20-9-14(18)16-4-6-19-7-5-16/h2-3,8,10,17H,4-7,9H2,1H3/t10-/m1/s1
InChIKeyQRBPNQCMISOPMI-SNVBAGLBSA-N
MW283.30 g/mol
LogP1.12
Rot. Bonds4

About 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone

2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone (PubChem CID 107720138) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
PubChem CID107720138
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
SMILESC[C@@H](O)c1ccc(OCC(=O)N2CCOCC2)cc1F
InChIInChI=1S/C14H18FNO4/c1-10(17)12-3-2-11(8-13(12)15)20-9-14(18)16-4-6-19-7-5-16/h2-3,8,10,17H,4-7,9H2,1H3/t10-/m1/s1
InChIKeyQRBPNQCMISOPMI-SNVBAGLBSA-N
XLogP1.12
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 107719544
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
CID 63365946
2-fluoro-4-(2-morpholin-4-yl-2-oxoethoxy)benzonitrile
CID 78952730
2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
CID 78931421
2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylethanone
CID 62074602
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide
CID 107719713
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-1-morpholin-4-ylethanone
CID 63368114
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
2-(3-acetylphenoxy)-1-morpholin-4-ylethanone
CID 685737
2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
CID 17190869
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone (CID 107720138) is 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone is C[C@@H](O)c1ccc(OCC(=O)N2CCOCC2)cc1F.
What is the InChIKey of 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is QRBPNQCMISOPMI-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-10(17)12-3-2-11(8-13(12)15)20-9-14(18)16-4-6-19-7-5-16/h2-3,8,10,17H,4-7,9H2,1H3/t10-/m1/s1.
What are the key properties of 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone?
2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 283.30 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 107720138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).