1-(2,5-difluorophenoxy)pentan-2-one

C11H12F2O2 — CID 63269916

IUPAC1-(2,5-difluorophenoxy)pentan-2-one
SMILESCCCC(=O)COc1cc(F)ccc1F
InChIInChI=1S/C11H12F2O2/c1-2-3-9(14)7-15-11-6-8(12)4-5-10(11)13/h4-6H,2-3,7H2,1H3
InChIKeyGOQVDMJFJORZBC-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.71
Rot. Bonds5

About 1-(2,5-difluorophenoxy)pentan-2-one

1-(2,5-difluorophenoxy)pentan-2-one (PubChem CID 63269916) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 1-(2,5-difluorophenoxy)pentan-2-one.

Molecular Properties

Compound Name1-(2,5-difluorophenoxy)pentan-2-one
PubChem CID63269916
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name1-(2,5-difluorophenoxy)pentan-2-one
SMILESCCCC(=O)COc1cc(F)ccc1F
InChIInChI=1S/C11H12F2O2/c1-2-3-9(14)7-15-11-6-8(12)4-5-10(11)13/h4-6H,2-3,7H2,1H3
InChIKeyGOQVDMJFJORZBC-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2-nitrophenoxy)pentan-2-one
CID 62368535
ethyl 3-(2,5-difluorophenoxy)propanoate
CID 63268646
2-(2,5-difluorophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 63269700
1-(2-propoxyphenoxy)pentan-2-one
CID 62043591
1-[2-(trifluoromethyl)phenoxy]pentan-2-one
CID 62041643
2-(2,5-difluorophenoxy)-1-(2-fluorophenyl)ethanone
CID 63269522
2-(2,5-difluorophenoxy)-1-(2-methylphenyl)ethanone
CID 55169275
1,4-difluoro-2-hexoxybenzene
CID 23437312
2-(2,5-difluorophenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 63269744
1-cyclopentyl-2-(2,5-difluorophenoxy)ethanone
CID 115733445
1-(4-tert-butyl-2-methylphenoxy)pentan-2-one
CID 62044482
3-(2,5-difluorophenoxy)-2-ethoxypropanoic acid
CID 63272996

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenoxy)pentan-2-one?
The IUPAC name of 1-(2,5-difluorophenoxy)pentan-2-one (CID 63269916) is 1-(2,5-difluorophenoxy)pentan-2-one.
What is the SMILES notation for 1-(2,5-difluorophenoxy)pentan-2-one?
The canonical SMILES for 1-(2,5-difluorophenoxy)pentan-2-one is CCCC(=O)COc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenoxy)pentan-2-one?
The InChIKey is GOQVDMJFJORZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-2-3-9(14)7-15-11-6-8(12)4-5-10(11)13/h4-6H,2-3,7H2,1H3.
What are the key properties of 1-(2,5-difluorophenoxy)pentan-2-one?
1-(2,5-difluorophenoxy)pentan-2-one has a molecular weight of 214.21 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenoxy)pentan-2-one is sourced from PubChem (CID 63269916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).