1-(1-fluoroethylamino)-3-methylbutan-2-one

C7H14FNO — CID 155036604

IUPAC1-(1-fluoroethylamino)-3-methylbutan-2-one
SMILESCC(F)NCC(=O)C(C)C
InChIInChI=1S/C7H14FNO/c1-5(2)7(10)4-9-6(3)8/h5-6,9H,4H2,1-3H3
InChIKeyVOPOFBIXAZFTBU-UHFFFAOYSA-N
MW147.19 g/mol
LogP1.12
Rot. Bonds4

About 1-(1-fluoroethylamino)-3-methylbutan-2-one

1-(1-fluoroethylamino)-3-methylbutan-2-one (PubChem CID 155036604) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 1-(1-fluoroethylamino)-3-methylbutan-2-one.

Molecular Properties

Compound Name1-(1-fluoroethylamino)-3-methylbutan-2-one
PubChem CID155036604
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name1-(1-fluoroethylamino)-3-methylbutan-2-one
SMILESCC(F)NCC(=O)C(C)C
InChIInChI=1S/C7H14FNO/c1-5(2)7(10)4-9-6(3)8/h5-6,9H,4H2,1-3H3
InChIKeyVOPOFBIXAZFTBU-UHFFFAOYSA-N
XLogP1.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethylamino)-3-methylbutan-2-one?
The IUPAC name of 1-(1-fluoroethylamino)-3-methylbutan-2-one (CID 155036604) is 1-(1-fluoroethylamino)-3-methylbutan-2-one.
What is the SMILES notation for 1-(1-fluoroethylamino)-3-methylbutan-2-one?
The canonical SMILES for 1-(1-fluoroethylamino)-3-methylbutan-2-one is CC(F)NCC(=O)C(C)C.
What is the InChIKey of 1-(1-fluoroethylamino)-3-methylbutan-2-one?
The InChIKey is VOPOFBIXAZFTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-5(2)7(10)4-9-6(3)8/h5-6,9H,4H2,1-3H3.
What are the key properties of 1-(1-fluoroethylamino)-3-methylbutan-2-one?
1-(1-fluoroethylamino)-3-methylbutan-2-one has a molecular weight of 147.19 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethylamino)-3-methylbutan-2-one is sourced from PubChem (CID 155036604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).