4-[ethyl(fluoromethyl)amino]butan-2-one

C7H14FNO — CID 123642252

IUPAC4-[ethyl(fluoromethyl)amino]butan-2-one
SMILESCCN(CF)CCC(C)=O
InChIInChI=1S/C7H14FNO/c1-3-9(6-8)5-4-7(2)10/h3-6H2,1-2H3
InChIKeyPUFCQPBBBWRXDC-UHFFFAOYSA-N
MW147.19 g/mol
LogP1.21
Rot. Bonds5

About 4-[ethyl(fluoromethyl)amino]butan-2-one

4-[ethyl(fluoromethyl)amino]butan-2-one (PubChem CID 123642252) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 4-[ethyl(fluoromethyl)amino]butan-2-one.

Molecular Properties

Compound Name4-[ethyl(fluoromethyl)amino]butan-2-one
PubChem CID123642252
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name4-[ethyl(fluoromethyl)amino]butan-2-one
SMILESCCN(CF)CCC(C)=O
InChIInChI=1S/C7H14FNO/c1-3-9(6-8)5-4-7(2)10/h3-6H2,1-2H3
InChIKeyPUFCQPBBBWRXDC-UHFFFAOYSA-N
XLogP1.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Butanone, 4-diethylamino-
CID 18694
4-(Dimethylamino)butan-2-one
CID 546913
4-(Dimethylamino)butan-2-one hydrochloride
CID 12239882
Trimethyl(3-oxobutyl)azanium
CID 35721
1-Butanaminium, N,N-diethyl-N-methyl-3-oxo-, iodide
CID 10869853
4-(Diethylamino) butan-2-one hydrochloride
CID 12425723
Triethyl(3-oxobutyl)azanium
CID 90094610
4-(Diethylamino)-3,4,4-trifluorobutan-2-one
CID 20449861
4-(Dimethylamino)-3,3-difluorobutan-2-one
CID 20671608
3-Fluoro-1-methyl-piperidin-4-one
CID 53302090
4-(Dimethylamino)-1,1,1-trifluorobutan-2-one
CID 82534999
3-(Diethylamino)-2-fluoropropanoyl fluoride
CID 88613986

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(fluoromethyl)amino]butan-2-one?
The IUPAC name of 4-[ethyl(fluoromethyl)amino]butan-2-one (CID 123642252) is 4-[ethyl(fluoromethyl)amino]butan-2-one.
What is the SMILES notation for 4-[ethyl(fluoromethyl)amino]butan-2-one?
The canonical SMILES for 4-[ethyl(fluoromethyl)amino]butan-2-one is CCN(CF)CCC(C)=O.
What is the InChIKey of 4-[ethyl(fluoromethyl)amino]butan-2-one?
The InChIKey is PUFCQPBBBWRXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-3-9(6-8)5-4-7(2)10/h3-6H2,1-2H3.
What are the key properties of 4-[ethyl(fluoromethyl)amino]butan-2-one?
4-[ethyl(fluoromethyl)amino]butan-2-one has a molecular weight of 147.19 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(fluoromethyl)amino]butan-2-one is sourced from PubChem (CID 123642252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).