1-(2-chloro-5-fluorophenyl)-2-(diethylamino)-2-ethylbutan-1-one

C16H23ClFNO — CID 105394304

IUPAC1-(2-chloro-5-fluorophenyl)-2-(diethylamino)-2-ethylbutan-1-one
SMILESCCN(CC)C(CC)(CC)C(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C16H23ClFNO/c1-5-16(6-2,19(7-3)8-4)15(20)13-11-12(18)9-10-14(13)17/h9-11H,5-8H2,1-4H3
InChIKeyVKKZELSBMIHDFZ-UHFFFAOYSA-N
MW299.82 g/mol
LogP4.56
Rot. Bonds7

About 1-(2-chloro-5-fluorophenyl)-2-(diethylamino)-2-ethylbutan-1-one

1-(2-chloro-5-fluorophenyl)-2-(diethylamino)-2-ethylbutan-1-one (PubChem CID 105394304) has the molecular formula C16H23ClFNO and a molecular weight of 299.82 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-(diethylamino)-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-(diethylamino)-2-ethylbutan-1-one
PubChem CID105394304
Molecular FormulaC16H23ClFNO
Molecular Weight299.82 g/mol
Exact Mass299.15
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-(diethylamino)-2-ethylbutan-1-one
SMILESCCN(CC)C(CC)(CC)C(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C16H23ClFNO/c1-5-16(6-2,19(7-3)8-4)15(20)13-11-12(18)9-10-14(13)17/h9-11H,5-8H2,1-4H3
InChIKeyVKKZELSBMIHDFZ-UHFFFAOYSA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one
CID 79061193
2-(diethylamino)-2-ethyl-1-(2,3,4-trifluorophenyl)butan-1-one
CID 79059380
3-(diethylamino)-3-ethyl-1-(5-fluoro-2-methylphenyl)pentan-2-one
CID 105373295
2-(diethylamino)-1-(5-fluoro-2-methylphenyl)-2-methylbutan-1-one
CID 79063557
1-(4-chlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one
CID 79062686
1-(2-chloro-5-fluorophenyl)-2-methoxy-2-methylpropan-1-one
CID 105394318
1-(2-chloro-5-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 105394302
3-amino-1-(2-chloro-5-fluorophenyl)-2,2,3-trimethylbutan-1-one
CID 105396463
1-(2,5-dichlorophenyl)-2-(diethylamino)-2-methylpropan-1-one
CID 79053041
1-(2-chloro-4-methylphenyl)-3-(diethylamino)-3-ethylpentan-2-one
CID 106867008
1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
CID 105394181
1-(2-chloro-5-fluorophenyl)-2-methoxypentan-1-one
CID 105394391

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-(diethylamino)-2-ethylbutan-1-one?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-(diethylamino)-2-ethylbutan-1-one (CID 105394304) is 1-(2-chloro-5-fluorophenyl)-2-(diethylamino)-2-ethylbutan-1-one.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-(diethylamino)-2-ethylbutan-1-one?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-(diethylamino)-2-ethylbutan-1-one is CCN(CC)C(CC)(CC)C(=O)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-(diethylamino)-2-ethylbutan-1-one?
The InChIKey is VKKZELSBMIHDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO/c1-5-16(6-2,19(7-3)8-4)15(20)13-11-12(18)9-10-14(13)17/h9-11H,5-8H2,1-4H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-(diethylamino)-2-ethylbutan-1-one?
1-(2-chloro-5-fluorophenyl)-2-(diethylamino)-2-ethylbutan-1-one has a molecular weight of 299.82 g/mol, XLogP of 4.56, 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)-2-(diethylamino)-2-ethylbutan-1-one is sourced from PubChem (CID 105394304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).