2-(3,4-difluorophenoxy)pentan-3-one

C11H12F2O2 — CID 64869123

IUPAC2-(3,4-difluorophenoxy)pentan-3-one
SMILESCCC(=O)C(C)Oc1ccc(F)c(F)c1
InChIInChI=1S/C11H12F2O2/c1-3-11(14)7(2)15-8-4-5-9(12)10(13)6-8/h4-7H,3H2,1-2H3
InChIKeyWXGDUSHGAGLENT-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.71
Rot. Bonds4

About 2-(3,4-difluorophenoxy)pentan-3-one

2-(3,4-difluorophenoxy)pentan-3-one (PubChem CID 64869123) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)pentan-3-one.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)pentan-3-one
PubChem CID64869123
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name2-(3,4-difluorophenoxy)pentan-3-one
SMILESCCC(=O)C(C)Oc1ccc(F)c(F)c1
InChIInChI=1S/C11H12F2O2/c1-3-11(14)7(2)15-8-4-5-9(12)10(13)6-8/h4-7H,3H2,1-2H3
InChIKeyWXGDUSHGAGLENT-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

methyl (2R)-2-(3,4-difluorophenoxy)-3-oxopentanoate
CID 129388633
2-(4-ethylphenoxy)pentan-3-one
CID 64866307
4-(3,4-difluorophenoxy)pentan-2-one
CID 64698357
2-(3,4-difluorophenoxy)butanoic acid
CID 43808864
(2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide
CID 95160340
2-[2-(3,4-difluorophenoxy)propanoyl-methylamino]acetic acid
CID 119171905
2-(3,4-difluorophenyl)pentan-3-one
CID 79307864
4-(3-oxopentan-2-yloxy)benzonitrile
CID 64866744
1-[4-(3,4-difluorophenoxy)phenyl]propan-1-one
CID 114065895
2-(3,4-difluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430409
2-[2-(3,4-difluorophenoxy)propanoylamino]propanoic acid
CID 119225124
2-[3-(trifluoromethyl)phenoxy]pentan-3-one
CID 64868237

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)pentan-3-one?
The IUPAC name of 2-(3,4-difluorophenoxy)pentan-3-one (CID 64869123) is 2-(3,4-difluorophenoxy)pentan-3-one.
What is the SMILES notation for 2-(3,4-difluorophenoxy)pentan-3-one?
The canonical SMILES for 2-(3,4-difluorophenoxy)pentan-3-one is CCC(=O)C(C)Oc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenoxy)pentan-3-one?
The InChIKey is WXGDUSHGAGLENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-3-11(14)7(2)15-8-4-5-9(12)10(13)6-8/h4-7H,3H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenoxy)pentan-3-one?
2-(3,4-difluorophenoxy)pentan-3-one has a molecular weight of 214.21 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)pentan-3-one is sourced from PubChem (CID 64869123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).