5-(diethylamino)-3-fluoropentan-2-one

C9H18FNO — CID 139565619

IUPAC5-(diethylamino)-3-fluoropentan-2-one
SMILESCCN(CC)CCC(F)C(C)=O
InChIInChI=1S/C9H18FNO/c1-4-11(5-2)7-6-9(10)8(3)12/h9H,4-7H2,1-3H3
InChIKeyAFROBAQVPISRNH-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.65
Rot. Bonds6

About 5-(diethylamino)-3-fluoropentan-2-one

5-(diethylamino)-3-fluoropentan-2-one (PubChem CID 139565619) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 5-(diethylamino)-3-fluoropentan-2-one.

Molecular Properties

Compound Name5-(diethylamino)-3-fluoropentan-2-one
PubChem CID139565619
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name5-(diethylamino)-3-fluoropentan-2-one
SMILESCCN(CC)CCC(F)C(C)=O
InChIInChI=1S/C9H18FNO/c1-4-11(5-2)7-6-9(10)8(3)12/h9H,4-7H2,1-3H3
InChIKeyAFROBAQVPISRNH-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-3-fluoropentan-2-one?
The IUPAC name of 5-(diethylamino)-3-fluoropentan-2-one (CID 139565619) is 5-(diethylamino)-3-fluoropentan-2-one.
What is the SMILES notation for 5-(diethylamino)-3-fluoropentan-2-one?
The canonical SMILES for 5-(diethylamino)-3-fluoropentan-2-one is CCN(CC)CCC(F)C(C)=O.
What is the InChIKey of 5-(diethylamino)-3-fluoropentan-2-one?
The InChIKey is AFROBAQVPISRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-4-11(5-2)7-6-9(10)8(3)12/h9H,4-7H2,1-3H3.
What are the key properties of 5-(diethylamino)-3-fluoropentan-2-one?
5-(diethylamino)-3-fluoropentan-2-one has a molecular weight of 175.25 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-3-fluoropentan-2-one is sourced from PubChem (CID 139565619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).