1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one

C16H23ClFNO — CID 103048060

IUPAC1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one
SMILESCCN(CC)C(C)(CC)C(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H23ClFNO/c1-5-16(4,19(6-2)7-3)15(20)11-12-10-13(17)8-9-14(12)18/h8-10H,5-7,11H2,1-4H3
InChIKeySJMLFDXJGNBUJC-UHFFFAOYSA-N
MW299.82 g/mol
LogP4.10
Rot. Bonds7

About 1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one

1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one (PubChem CID 103048060) has the molecular formula C16H23ClFNO and a molecular weight of 299.82 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one
PubChem CID103048060
Molecular FormulaC16H23ClFNO
Molecular Weight299.82 g/mol
Exact Mass299.15
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one
SMILESCCN(CC)C(C)(CC)C(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H23ClFNO/c1-5-16(4,19(6-2)7-3)15(20)11-12-10-13(17)8-9-14(12)18/h8-10H,5-7,11H2,1-4H3
InChIKeySJMLFDXJGNBUJC-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one (CID 103048060) is 1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one is CCN(CC)C(C)(CC)C(=O)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one?
The InChIKey is SJMLFDXJGNBUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO/c1-5-16(4,19(6-2)7-3)15(20)11-12-10-13(17)8-9-14(12)18/h8-10H,5-7,11H2,1-4H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one?
1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one has a molecular weight of 299.82 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one is sourced from PubChem (CID 103048060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).