2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N,N-dimethylacetamide

C12H16FNO3 — CID 78932583

IUPAC2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N,N-dimethylacetamide
SMILESC[C@H](O)c1ccc(F)cc1OCC(=O)N(C)C
InChIInChI=1S/C12H16FNO3/c1-8(15)10-5-4-9(13)6-11(10)17-7-12(16)14(2)3/h4-6,8,15H,7H2,1-3H3/t8-/m0/s1
InChIKeyDOTWZIWULLVETJ-QMMMGPOBSA-N
MW241.26 g/mol
LogP1.35
Rot. Bonds4

About 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N,N-dimethylacetamide

2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N,N-dimethylacetamide (PubChem CID 78932583) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N,N-dimethylacetamide
PubChem CID78932583
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N,N-dimethylacetamide
SMILESC[C@H](O)c1ccc(F)cc1OCC(=O)N(C)C
InChIInChI=1S/C12H16FNO3/c1-8(15)10-5-4-9(13)6-11(10)17-7-12(16)14(2)3/h4-6,8,15H,7H2,1-3H3/t8-/m0/s1
InChIKeyDOTWZIWULLVETJ-QMMMGPOBSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N,N-dimethylacetamide
CID 63366000
2-[5-bromo-2-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide
CID 102948484
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide
CID 82002018
2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide
CID 63066754
N-cyclopropyl-N-ethyl-2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78932476
2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide
CID 107719713
(1R)-1-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]ethanol
CID 63366014
(1R)-1-[4-fluoro-2-(2-methoxyethoxy)phenyl]ethanol
CID 63366326
2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 78932178
N-cyclopentyl-2-[5-fluoro-2-(1-hydroxyethyl)phenoxy]acetamide
CID 63067515
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 63366201
1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
CID 64566512

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N,N-dimethylacetamide (CID 78932583) is 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N,N-dimethylacetamide is C[C@H](O)c1ccc(F)cc1OCC(=O)N(C)C.
What is the InChIKey of 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N,N-dimethylacetamide?
The InChIKey is DOTWZIWULLVETJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-8(15)10-5-4-9(13)6-11(10)17-7-12(16)14(2)3/h4-6,8,15H,7H2,1-3H3/t8-/m0/s1.
What are the key properties of 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N,N-dimethylacetamide?
2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N,N-dimethylacetamide has a molecular weight of 241.26 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 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]-N,N-dimethylacetamide is sourced from PubChem (CID 78932583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).