1-(2-fluoro-5-methylphenoxy)propan-2-one

C10H11FO2 — CID 64855614

IUPAC1-(2-fluoro-5-methylphenoxy)propan-2-one
SMILESCC(=O)COc1cc(C)ccc1F
InChIInChI=1S/C10H11FO2/c1-7-3-4-9(11)10(5-7)13-6-8(2)12/h3-5H,6H2,1-2H3
InChIKeyVTTKBFASWUYWEN-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.10
Rot. Bonds3

About 1-(2-fluoro-5-methylphenoxy)propan-2-one

1-(2-fluoro-5-methylphenoxy)propan-2-one (PubChem CID 64855614) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenoxy)propan-2-one.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenoxy)propan-2-one
PubChem CID64855614
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name1-(2-fluoro-5-methylphenoxy)propan-2-one
SMILESCC(=O)COc1cc(C)ccc1F
InChIInChI=1S/C10H11FO2/c1-7-3-4-9(11)10(5-7)13-6-8(2)12/h3-5H,6H2,1-2H3
InChIKeyVTTKBFASWUYWEN-UHFFFAOYSA-N
XLogP2.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide
CID 64853369
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
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
1-(2,3,4-trifluorophenoxy)propan-2-one
CID 83396685
N-cyclopropyl-N-ethyl-2-(2-fluoro-5-methylphenoxy)acetamide
CID 64854538
ethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene
CID 145227334
N-(5-amino-2-fluorophenyl)-2-(2-fluoro-5-methylphenoxy)acetamide
CID 64853622
N-(2-cyanoethyl)-2-(2-fluoro-5-methylphenoxy)acetamide
CID 64854138
2-(2,5-difluorophenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 63269744
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenoxy)propan-2-one?
The IUPAC name of 1-(2-fluoro-5-methylphenoxy)propan-2-one (CID 64855614) is 1-(2-fluoro-5-methylphenoxy)propan-2-one.
What is the SMILES notation for 1-(2-fluoro-5-methylphenoxy)propan-2-one?
The canonical SMILES for 1-(2-fluoro-5-methylphenoxy)propan-2-one is CC(=O)COc1cc(C)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-methylphenoxy)propan-2-one?
The InChIKey is VTTKBFASWUYWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-7-3-4-9(11)10(5-7)13-6-8(2)12/h3-5H,6H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-methylphenoxy)propan-2-one?
1-(2-fluoro-5-methylphenoxy)propan-2-one has a molecular weight of 182.19 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenoxy)propan-2-one is sourced from PubChem (CID 64855614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).