1-(2,6-difluorophenyl)-2-pentan-2-yloxyethanone

C13H16F2O2 — CID 102982848

IUPAC1-(2,6-difluorophenyl)-2-pentan-2-yloxyethanone
SMILESCCCC(C)OCC(=O)c1c(F)cccc1F
InChIInChI=1S/C13H16F2O2/c1-3-5-9(2)17-8-12(16)13-10(14)6-4-7-11(13)15/h4,6-7,9H,3,5,8H2,1-2H3
InChIKeyRLENLZAWVXEKAG-UHFFFAOYSA-N
MW242.26 g/mol
LogP3.35
Rot. Bonds6

About 1-(2,6-difluorophenyl)-2-pentan-2-yloxyethanone

1-(2,6-difluorophenyl)-2-pentan-2-yloxyethanone (PubChem CID 102982848) has the molecular formula C13H16F2O2 and a molecular weight of 242.26 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-pentan-2-yloxyethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-pentan-2-yloxyethanone
PubChem CID102982848
Molecular FormulaC13H16F2O2
Molecular Weight242.26 g/mol
Exact Mass242.11
IUPAC Name1-(2,6-difluorophenyl)-2-pentan-2-yloxyethanone
SMILESCCCC(C)OCC(=O)c1c(F)cccc1F
InChIInChI=1S/C13H16F2O2/c1-3-5-9(2)17-8-12(16)13-10(14)6-4-7-11(13)15/h4,6-7,9H,3,5,8H2,1-2H3
InChIKeyRLENLZAWVXEKAG-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

pentan-2-yl 2-fluoro-6-(trifluoromethyl)benzoate
CID 91730854
2-(2-butoxyethoxy)-1-(2,6-difluorophenyl)ethanone
CID 43800204
1-(2,6-difluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612545
2-fluoro-6-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid
CID 107014148
1-pentan-2-yloxy-3-phenylpropan-2-one
CID 102982877
3-fluoro-2-pentan-2-yloxybenzoic acid
CID 102980945
3-amino-1-(2,6-difluorophenyl)butan-1-one
CID 81462317
1-(4-nitrophenyl)-2-pentan-2-yloxyethanone
CID 102982861
1-(2,4-difluorophenyl)-2-octan-2-yloxyethanone
CID 43800033
1-(2,6-difluorophenyl)octan-1-one
CID 79522078
1-(2,6-difluorophenyl)hexane-1,3-dione
CID 61393364
pentan-2-yl 2,6-difluoro-3-methylbenzoate
CID 91722176

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-pentan-2-yloxyethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-pentan-2-yloxyethanone (CID 102982848) is 1-(2,6-difluorophenyl)-2-pentan-2-yloxyethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-pentan-2-yloxyethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-pentan-2-yloxyethanone is CCCC(C)OCC(=O)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-pentan-2-yloxyethanone?
The InChIKey is RLENLZAWVXEKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O2/c1-3-5-9(2)17-8-12(16)13-10(14)6-4-7-11(13)15/h4,6-7,9H,3,5,8H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-pentan-2-yloxyethanone?
1-(2,6-difluorophenyl)-2-pentan-2-yloxyethanone has a molecular weight of 242.26 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-pentan-2-yloxyethanone is sourced from PubChem (CID 102982848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).