3-amino-1-fluoropentan-2-one

C5H10FNO — CID 22955014

IUPAC3-amino-1-fluoropentan-2-one
SMILESCCC(N)C(=O)CF
InChIInChI=1S/C5H10FNO/c1-2-4(7)5(8)3-6/h4H,2-3,7H2,1H3
InChIKeySSWXLFGKOFSKLW-UHFFFAOYSA-N
MW119.14 g/mol
LogP0.26
Rot. Bonds3

About 3-amino-1-fluoropentan-2-one

3-amino-1-fluoropentan-2-one (PubChem CID 22955014) has the molecular formula C5H10FNO and a molecular weight of 119.14 g/mol. Its IUPAC name is 3-amino-1-fluoropentan-2-one.

Molecular Properties

Compound Name3-amino-1-fluoropentan-2-one
PubChem CID22955014
Molecular FormulaC5H10FNO
Molecular Weight119.14 g/mol
Exact Mass119.07
IUPAC Name3-amino-1-fluoropentan-2-one
SMILESCCC(N)C(=O)CF
InChIInChI=1S/C5H10FNO/c1-2-4(7)5(8)3-6/h4H,2-3,7H2,1H3
InChIKeySSWXLFGKOFSKLW-UHFFFAOYSA-N
XLogP0.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-fluoropentan-2-one?
The IUPAC name of 3-amino-1-fluoropentan-2-one (CID 22955014) is 3-amino-1-fluoropentan-2-one.
What is the SMILES notation for 3-amino-1-fluoropentan-2-one?
The canonical SMILES for 3-amino-1-fluoropentan-2-one is CCC(N)C(=O)CF.
What is the InChIKey of 3-amino-1-fluoropentan-2-one?
The InChIKey is SSWXLFGKOFSKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO/c1-2-4(7)5(8)3-6/h4H,2-3,7H2,1H3.
What are the key properties of 3-amino-1-fluoropentan-2-one?
3-amino-1-fluoropentan-2-one has a molecular weight of 119.14 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-fluoropentan-2-one is sourced from PubChem (CID 22955014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).