2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide

C12H16FNO3 — CID 107719713

IUPAC2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide
SMILESCC(O)c1ccc(OCC(=O)N(C)C)cc1F
InChIInChI=1S/C12H16FNO3/c1-8(15)10-5-4-9(6-11(10)13)17-7-12(16)14(2)3/h4-6,8,15H,7H2,1-3H3
InChIKeyIKVQYVUDCOMNHQ-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.35
Rot. Bonds4

About 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide

2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide (PubChem CID 107719713) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide
PubChem CID107719713
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide
SMILESCC(O)c1ccc(OCC(=O)N(C)C)cc1F
InChIInChI=1S/C12H16FNO3/c1-8(15)10-5-4-9(6-11(10)13)17-7-12(16)14(2)3/h4-6,8,15H,7H2,1-3H3
InChIKeyIKVQYVUDCOMNHQ-UHFFFAOYSA-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-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide
CID 107717208
2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide
CID 107171377
1-[2-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanol
CID 107719530
2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N,N-dimethylacetamide
CID 78932583
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N,N-dimethylacetamide
CID 63366000
(1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol
CID 107720300
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide
CID 82002018
2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 107720581
2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 107719544
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
(1R)-1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanol
CID 107720039
2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
CID 107720138

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide (CID 107719713) is 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide is CC(O)c1ccc(OCC(=O)N(C)C)cc1F.
What is the InChIKey of 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide?
The InChIKey is IKVQYVUDCOMNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-8(15)10-5-4-9(6-11(10)13)17-7-12(16)14(2)3/h4-6,8,15H,7H2,1-3H3.
What are the key properties of 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide?
2-[3-fluoro-4-(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-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 107719713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).