1-(3-fluoro-N-methylanilino)butan-2-one

C11H14FNO — CID 62038249

IUPAC1-(3-fluoro-N-methylanilino)butan-2-one
SMILESCCC(=O)CN(C)c1cccc(F)c1
InChIInChI=1S/C11H14FNO/c1-3-11(14)8-13(2)10-6-4-5-9(12)7-10/h4-7H,3,8H2,1-2H3
InChIKeyYYSSZVCTONYQTB-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.24
Rot. Bonds4

About 1-(3-fluoro-N-methylanilino)butan-2-one

1-(3-fluoro-N-methylanilino)butan-2-one (PubChem CID 62038249) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-(3-fluoro-N-methylanilino)butan-2-one.

Molecular Properties

Compound Name1-(3-fluoro-N-methylanilino)butan-2-one
PubChem CID62038249
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name1-(3-fluoro-N-methylanilino)butan-2-one
SMILESCCC(=O)CN(C)c1cccc(F)c1
InChIInChI=1S/C11H14FNO/c1-3-11(14)8-13(2)10-6-4-5-9(12)7-10/h4-7H,3,8H2,1-2H3
InChIKeyYYSSZVCTONYQTB-UHFFFAOYSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone
CID 104750304
2-(3-fluoro-N-methylanilino)-1-(4-propan-2-ylphenyl)ethanone
CID 63568085
N-(chloromethyl)-3-fluoro-N-methylaniline
CID 115262926
methyl 2-ethyl-4-(3-fluoro-N-methylanilino)but-2-enoate
CID 77101546
1-ethyl-3-(3-fluorophenyl)-1,3-dimethylurea
CID 116655437
3-(3-fluoro-N-methylanilino)propanal
CID 63041284
4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide
CID 107458548
3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide
CID 79631069
3-(3-fluoro-N-methylanilino)-2,2-dimethyl-1-phenylpropan-1-one
CID 63193607
1-amino-3-(N,3-dimethylanilino)propan-2-one
CID 83818168
5-(3-fluoro-N-methylanilino)pentanehydrazide
CID 63583475
5-[(3-fluoro-N-methylanilino)methyl]thiophene-2-carboxylic acid
CID 55183444

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-N-methylanilino)butan-2-one?
The IUPAC name of 1-(3-fluoro-N-methylanilino)butan-2-one (CID 62038249) is 1-(3-fluoro-N-methylanilino)butan-2-one.
What is the SMILES notation for 1-(3-fluoro-N-methylanilino)butan-2-one?
The canonical SMILES for 1-(3-fluoro-N-methylanilino)butan-2-one is CCC(=O)CN(C)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluoro-N-methylanilino)butan-2-one?
The InChIKey is YYSSZVCTONYQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-3-11(14)8-13(2)10-6-4-5-9(12)7-10/h4-7H,3,8H2,1-2H3.
What are the key properties of 1-(3-fluoro-N-methylanilino)butan-2-one?
1-(3-fluoro-N-methylanilino)butan-2-one has a molecular weight of 195.24 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-N-methylanilino)butan-2-one is sourced from PubChem (CID 62038249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).