1-(2-chloro-5-fluorophenyl)-3-ethoxyhexan-2-one

C14H18ClFO2 — CID 102617817

IUPAC1-(2-chloro-5-fluorophenyl)-3-ethoxyhexan-2-one
SMILESCCCC(OCC)C(=O)Cc1cc(F)ccc1Cl
InChIInChI=1S/C14H18ClFO2/c1-3-5-14(18-4-2)13(17)9-10-8-11(16)6-7-12(10)15/h6-8,14H,3-5,9H2,1-2H3
InChIKeyMOXPDBBMWHKHSJ-UHFFFAOYSA-N
MW272.75 g/mol
LogP3.80
Rot. Bonds7

About 1-(2-chloro-5-fluorophenyl)-3-ethoxyhexan-2-one

1-(2-chloro-5-fluorophenyl)-3-ethoxyhexan-2-one (PubChem CID 102617817) has the molecular formula C14H18ClFO2 and a molecular weight of 272.75 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-ethoxyhexan-2-one.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-ethoxyhexan-2-one
PubChem CID102617817
Molecular FormulaC14H18ClFO2
Molecular Weight272.75 g/mol
Exact Mass272.10
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-ethoxyhexan-2-one
SMILESCCCC(OCC)C(=O)Cc1cc(F)ccc1Cl
InChIInChI=1S/C14H18ClFO2/c1-3-5-14(18-4-2)13(17)9-10-8-11(16)6-7-12(10)15/h6-8,14H,3-5,9H2,1-2H3
InChIKeyMOXPDBBMWHKHSJ-UHFFFAOYSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-3-ethoxyhexan-2-one
CID 116708002
1-(3,4-dichlorophenyl)-3-ethoxyhexan-2-one
CID 116707862
3-ethoxy-1-(2-methoxyphenyl)hexan-2-one
CID 116707998
1-(2-chloro-5-fluorophenyl)-2-methoxypentan-1-one
CID 105394391
1-(2-bromo-4-fluorophenyl)-3-ethoxypentan-2-one
CID 116707531
1-(4-chloro-3-methoxyphenyl)-2-ethoxypentan-1-one
CID 116707900
1-(2-chloro-4-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-one
CID 116710056
1-(2-chloro-5-fluorophenyl)-3-propoxypropan-2-one
CID 102617636
3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-one
CID 102617821
3-(2-chloro-5-fluorophenyl)-1,1-diethoxypropan-2-amine
CID 102619111
3-ethoxy-1-pyridin-4-ylhexan-2-one
CID 116707737
3-ethoxy-1-pyridin-2-ylhexan-2-one
CID 116707835

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-ethoxyhexan-2-one?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-ethoxyhexan-2-one (CID 102617817) is 1-(2-chloro-5-fluorophenyl)-3-ethoxyhexan-2-one.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-ethoxyhexan-2-one?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-ethoxyhexan-2-one is CCCC(OCC)C(=O)Cc1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-ethoxyhexan-2-one?
The InChIKey is MOXPDBBMWHKHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFO2/c1-3-5-14(18-4-2)13(17)9-10-8-11(16)6-7-12(10)15/h6-8,14H,3-5,9H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-ethoxyhexan-2-one?
1-(2-chloro-5-fluorophenyl)-3-ethoxyhexan-2-one has a molecular weight of 272.75 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3-ethoxyhexan-2-one is sourced from PubChem (CID 102617817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).