3-(3-chlorophenoxy)-1-(2-fluorophenyl)butan-2-one

C16H14ClFO2 — CID 105079215

IUPAC3-(3-chlorophenoxy)-1-(2-fluorophenyl)butan-2-one
SMILESCC(Oc1cccc(Cl)c1)C(=O)Cc1ccccc1F
InChIInChI=1S/C16H14ClFO2/c1-11(20-14-7-4-6-13(17)10-14)16(19)9-12-5-2-3-8-15(12)18/h2-8,10-11H,9H2,1H3
InChIKeyRDECBWCOJSEDNN-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.06
Rot. Bonds5

About 3-(3-chlorophenoxy)-1-(2-fluorophenyl)butan-2-one

3-(3-chlorophenoxy)-1-(2-fluorophenyl)butan-2-one (PubChem CID 105079215) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-1-(2-fluorophenyl)butan-2-one.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-1-(2-fluorophenyl)butan-2-one
PubChem CID105079215
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name3-(3-chlorophenoxy)-1-(2-fluorophenyl)butan-2-one
SMILESCC(Oc1cccc(Cl)c1)C(=O)Cc1ccccc1F
InChIInChI=1S/C16H14ClFO2/c1-11(20-14-7-4-6-13(17)10-14)16(19)9-12-5-2-3-8-15(12)18/h2-8,10-11H,9H2,1H3
InChIKeyRDECBWCOJSEDNN-UHFFFAOYSA-N
XLogP4.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
3-(3-chlorophenoxy)-1-(5-ethylthiophen-2-yl)butan-2-one
CID 105089342
2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]butanamide
CID 17068388
2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol
CID 105083853
(3R)-3-(3-chlorophenoxy)butan-2-one
CID 1489403
1-(5-chloro-2-fluorophenyl)-3-methoxybutan-2-one
CID 103048080
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8700805
(2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 894862
2-(3-chlorophenoxy)propanehydrazide
CID 2832641
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
2-(3-chlorophenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114553

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-1-(2-fluorophenyl)butan-2-one?
The IUPAC name of 3-(3-chlorophenoxy)-1-(2-fluorophenyl)butan-2-one (CID 105079215) is 3-(3-chlorophenoxy)-1-(2-fluorophenyl)butan-2-one.
What is the SMILES notation for 3-(3-chlorophenoxy)-1-(2-fluorophenyl)butan-2-one?
The canonical SMILES for 3-(3-chlorophenoxy)-1-(2-fluorophenyl)butan-2-one is CC(Oc1cccc(Cl)c1)C(=O)Cc1ccccc1F.
What is the InChIKey of 3-(3-chlorophenoxy)-1-(2-fluorophenyl)butan-2-one?
The InChIKey is RDECBWCOJSEDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c1-11(20-14-7-4-6-13(17)10-14)16(19)9-12-5-2-3-8-15(12)18/h2-8,10-11H,9H2,1H3.
What are the key properties of 3-(3-chlorophenoxy)-1-(2-fluorophenyl)butan-2-one?
3-(3-chlorophenoxy)-1-(2-fluorophenyl)butan-2-one has a molecular weight of 292.74 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-1-(2-fluorophenyl)butan-2-one is sourced from PubChem (CID 105079215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).