2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide

C11H14FNO2 — CID 64853369

IUPAC2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide
SMILESCc1ccc(F)c(OCC(=O)N(C)C)c1
InChIInChI=1S/C11H14FNO2/c1-8-4-5-9(12)10(6-8)15-7-11(14)13(2)3/h4-6H,7H2,1-3H3
InChIKeyCPBSXJOFWUHJLM-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.60
Rot. Bonds3

About 2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide

2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide (PubChem CID 64853369) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide
PubChem CID64853369
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide
SMILESCc1ccc(F)c(OCC(=O)N(C)C)c1
InChIInChI=1S/C11H14FNO2/c1-8-4-5-9(12)10(6-8)15-7-11(14)13(2)3/h4-6H,7H2,1-3H3
InChIKeyCPBSXJOFWUHJLM-UHFFFAOYSA-N
XLogP1.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-5-methylphenoxy)propan-2-one
CID 64855614
N-cyclopropyl-N-ethyl-2-(2-fluoro-5-methylphenoxy)acetamide
CID 64854538
2-(4-amino-2,5-difluorophenoxy)-N,N-dimethylacetamide
CID 63599530
4-(2-fluoro-5-methylphenoxy)-3-methylbut-2-enoic acid
CID 77053772
1-(2-fluoro-5-methylphenoxy)-3-(2-fluorophenyl)propan-2-one
CID 64854059
N,N-dimethyl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639445
2-[2-(dimethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride
CID 82910026
2-[2-[[4-(hydroxymethyl)phenyl]methylamino]-5-methylphenoxy]-N,N-dimethylacetamide
CID 110006577
2-[(2-fluoro-5-methylphenoxy)methyl]prop-2-en-1-amine
CID 103067314
2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene
CID 79173807
2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide
CID 107171377
2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide
CID 103850142

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide (CID 64853369) is 2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide is Cc1ccc(F)c(OCC(=O)N(C)C)c1.
What is the InChIKey of 2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide?
The InChIKey is CPBSXJOFWUHJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-8-4-5-9(12)10(6-8)15-7-11(14)13(2)3/h4-6H,7H2,1-3H3.
What are the key properties of 2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide?
2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide has a molecular weight of 211.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide is sourced from PubChem (CID 64853369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).