1-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)propan-1-one

C11H10ClF3O2 — CID 103147105

IUPAC1-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)propan-1-one
SMILESO=C(CCOCC(F)F)c1ccc(Cl)cc1F
InChIInChI=1S/C11H10ClF3O2/c12-7-1-2-8(9(13)5-7)10(16)3-4-17-6-11(14)15/h1-2,5,11H,3-4,6H2
InChIKeyFQNLSHRQJRFWBF-UHFFFAOYSA-N
MW266.65 g/mol
LogP3.33
Rot. Bonds6

About 1-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)propan-1-one

1-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)propan-1-one (PubChem CID 103147105) has the molecular formula C11H10ClF3O2 and a molecular weight of 266.65 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)propan-1-one
PubChem CID103147105
Molecular FormulaC11H10ClF3O2
Molecular Weight266.65 g/mol
Exact Mass266.03
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)propan-1-one
SMILESO=C(CCOCC(F)F)c1ccc(Cl)cc1F
InChIInChI=1S/C11H10ClF3O2/c12-7-1-2-8(9(13)5-7)10(16)3-4-17-6-11(14)15/h1-2,5,11H,3-4,6H2
InChIKeyFQNLSHRQJRFWBF-UHFFFAOYSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-difluoroethoxy)-1-(2,3,4-trifluorophenyl)propan-1-one
CID 103147247
1-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 113230951
1-(6-chloro-1H-indol-3-yl)-3-(2,2-difluoroethoxy)propan-1-one
CID 103206581
3-(2,2-difluoroethoxy)-1-(2-fluoro-4,5-dimethoxyphenyl)propan-1-one
CID 103206670
4-chloro-2-[3-(2,2-difluoroethoxy)propanoylamino]benzoic acid
CID 103205775
1-(2,5-dichlorophenyl)-2-(2,2-difluoroethoxy)ethanone
CID 82006425
methyl 4-(4-chloro-2-fluorophenyl)-4-oxobutanoate
CID 114859571
2-chloro-1-(4-chloro-2-fluorophenyl)ethanone
CID 45081012
1-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-1-one
CID 24726100
1-(4-chlorophenyl)-4-(2,2-difluoroethoxy)butan-2-one
CID 103147131
1-(4-amino-3-fluorophenyl)-3-(2,2-difluoroethoxy)propan-1-one
CID 103213046
4-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide
CID 103097023

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)propan-1-one?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)propan-1-one (CID 103147105) is 1-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)propan-1-one.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)propan-1-one?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)propan-1-one is O=C(CCOCC(F)F)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)propan-1-one?
The InChIKey is FQNLSHRQJRFWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O2/c12-7-1-2-8(9(13)5-7)10(16)3-4-17-6-11(14)15/h1-2,5,11H,3-4,6H2.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)propan-1-one?
1-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)propan-1-one has a molecular weight of 266.65 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)propan-1-one is sourced from PubChem (CID 103147105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).