3-(2-chloro-6-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one

C15H11ClF2O2 — CID 83050986

IUPAC3-(2-chloro-6-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
SMILESO=C(CCOc1c(F)cccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C15H11ClF2O2/c16-12-2-1-3-13(18)15(12)20-9-8-14(19)10-4-6-11(17)7-5-10/h1-7H,8-9H2
InChIKeyVVDNFDMKEXKAQA-UHFFFAOYSA-N
MW296.70 g/mol
LogP4.27
Rot. Bonds5

About 3-(2-chloro-6-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one

3-(2-chloro-6-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one (PubChem CID 83050986) has the molecular formula C15H11ClF2O2 and a molecular weight of 296.70 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
PubChem CID83050986
Molecular FormulaC15H11ClF2O2
Molecular Weight296.70 g/mol
Exact Mass296.04
IUPAC Name3-(2-chloro-6-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
SMILESO=C(CCOc1c(F)cccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C15H11ClF2O2/c16-12-2-1-3-13(18)15(12)20-9-8-14(19)10-4-6-11(17)7-5-10/h1-7H,8-9H2
InChIKeyVVDNFDMKEXKAQA-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 43793598
4-(2-chloro-6-fluorophenoxy)butanoic acid
CID 83051076
2-(2-chloro-6-fluorophenoxy)-1-phenylethanone
CID 83051091
3-(2,5-dichlorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 62028936
6-(2-chloro-6-fluorophenoxy)hexan-2-one
CID 83051301
3-(2-chloro-6-fluorophenoxy)propanethioamide
CID 83051817
2-(2-chloro-6-fluorophenoxy)-1-(4-nitrophenyl)ethanone
CID 83052615
2-(2-chloro-6-fluorophenoxy)-1-(4-propylphenyl)ethanone
CID 83052607
2-(2-chloro-6-fluorophenoxy)ethanethiol
CID 83053804
4-(2-chloro-6-fluorophenoxy)butanethioamide
CID 83051397
1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one
CID 43793632
3-(4-chloro-3-ethylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 63567261

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 3-(2-chloro-6-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one (CID 83050986) is 3-(2-chloro-6-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(2-chloro-6-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(2-chloro-6-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one is O=C(CCOc1c(F)cccc1Cl)c1ccc(F)cc1.
What is the InChIKey of 3-(2-chloro-6-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one?
The InChIKey is VVDNFDMKEXKAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2O2/c16-12-2-1-3-13(18)15(12)20-9-8-14(19)10-4-6-11(17)7-5-10/h1-7H,8-9H2.
What are the key properties of 3-(2-chloro-6-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one?
3-(2-chloro-6-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one has a molecular weight of 296.70 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 83050986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).