2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]propanamide

C11H14FNO3 — CID 63366141

IUPAC2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]propanamide
SMILESCC(Oc1cc(F)ccc1[C@H](C)O)C(N)=O
InChIInChI=1S/C11H14FNO3/c1-6(14)9-4-3-8(12)5-10(9)16-7(2)11(13)15/h3-7,14H,1-2H3,(H2,13,15)/t6-,7?/m0/s1
InChIKeyLTFFPRXQSGOXIU-PKPIPKONSA-N
MW227.24 g/mol
LogP1.13
Rot. Bonds4

About 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]propanamide

2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]propanamide (PubChem CID 63366141) has the molecular formula C11H14FNO3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]propanamide.

Molecular Properties

Compound Name2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]propanamide
PubChem CID63366141
Molecular FormulaC11H14FNO3
Molecular Weight227.24 g/mol
Exact Mass227.10
IUPAC Name2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]propanamide
SMILESCC(Oc1cc(F)ccc1[C@H](C)O)C(N)=O
InChIInChI=1S/C11H14FNO3/c1-6(14)9-4-3-8(12)5-10(9)16-7(2)11(13)15/h3-7,14H,1-2H3,(H2,13,15)/t6-,7?/m0/s1
InChIKeyLTFFPRXQSGOXIU-PKPIPKONSA-N
XLogP1.13
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenoxy)propanamide
CID 63269491
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanamide
CID 82001124
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(methylcarbamoyl)propanamide
CID 63366328
N,N-diethyl-2-[5-fluoro-2-(1-hydroxyethyl)phenoxy]propanamide
CID 63067505
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide
CID 78934187
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one
CID 78934249
2-[5-fluoro-2-(1-hydroxyethyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 63067677
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-carbamoylpropanamide
CID 78935934
2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 63366211
2-(2-acetyl-4-fluorophenoxy)propanamide
CID 78906193
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 63368087
2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 47095241

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]propanamide?
The IUPAC name of 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]propanamide (CID 63366141) is 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]propanamide.
What is the SMILES notation for 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]propanamide?
The canonical SMILES for 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]propanamide is CC(Oc1cc(F)ccc1[C@H](C)O)C(N)=O.
What is the InChIKey of 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]propanamide?
The InChIKey is LTFFPRXQSGOXIU-PKPIPKONSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-6(14)9-4-3-8(12)5-10(9)16-7(2)11(13)15/h3-7,14H,1-2H3,(H2,13,15)/t6-,7?/m0/s1.
What are the key properties of 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]propanamide?
2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]propanamide has a molecular weight of 227.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]propanamide is sourced from PubChem (CID 63366141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).