1-[2-(2,2-difluoroethoxy)phenyl]propan-1-one

C11H12F2O2 — CID 60921638

IUPAC1-[2-(2,2-difluoroethoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1OCC(F)F
InChIInChI=1S/C11H12F2O2/c1-2-9(14)8-5-3-4-6-10(8)15-7-11(12)13/h3-6,11H,2,7H2,1H3
InChIKeyCSKUXDWLICAJAV-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.92
Rot. Bonds5

About 1-[2-(2,2-difluoroethoxy)phenyl]propan-1-one

1-[2-(2,2-difluoroethoxy)phenyl]propan-1-one (PubChem CID 60921638) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 1-[2-(2,2-difluoroethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(2,2-difluoroethoxy)phenyl]propan-1-one
PubChem CID60921638
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name1-[2-(2,2-difluoroethoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1OCC(F)F
InChIInChI=1S/C11H12F2O2/c1-2-9(14)8-5-3-4-6-10(8)15-7-11(12)13/h3-6,11H,2,7H2,1H3
InChIKeyCSKUXDWLICAJAV-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-[2-(2,2-difluoroethoxy)phenyl]ethanone
CID 99769831
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
1-[2-(methoxymethoxy)phenyl]propan-1-one
CID 15053855
(NE)-N-[1-[2-(2,2-difluoroethoxy)phenyl]ethylidene]hydroxylamine
CID 60922167
1-(2-but-2-ynoxyphenyl)propan-1-one
CID 62312337
(2-propanoylphenyl) trifluoromethanesulfonate
CID 11448916
1-(2-pent-4-ynoxyphenyl)propan-1-one
CID 115870719
1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-one
CID 29287743
1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-one;hydrobromide
CID 117068814
1-[2-[(2R)-3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one
CID 73355762
1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one
CID 103046633
1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-1-one
CID 103134352

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-difluoroethoxy)phenyl]propan-1-one?
The IUPAC name of 1-[2-(2,2-difluoroethoxy)phenyl]propan-1-one (CID 60921638) is 1-[2-(2,2-difluoroethoxy)phenyl]propan-1-one.
What is the SMILES notation for 1-[2-(2,2-difluoroethoxy)phenyl]propan-1-one?
The canonical SMILES for 1-[2-(2,2-difluoroethoxy)phenyl]propan-1-one is CCC(=O)c1ccccc1OCC(F)F.
What is the InChIKey of 1-[2-(2,2-difluoroethoxy)phenyl]propan-1-one?
The InChIKey is CSKUXDWLICAJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-2-9(14)8-5-3-4-6-10(8)15-7-11(12)13/h3-6,11H,2,7H2,1H3.
What are the key properties of 1-[2-(2,2-difluoroethoxy)phenyl]propan-1-one?
1-[2-(2,2-difluoroethoxy)phenyl]propan-1-one has a molecular weight of 214.21 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluoroethoxy)phenyl]propan-1-one is sourced from PubChem (CID 60921638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).