4-(2-fluorophenyl)-3-(methylamino)butan-2-one

C11H14FNO — CID 76637468

IUPAC4-(2-fluorophenyl)-3-(methylamino)butan-2-one
SMILESCNC(Cc1ccccc1F)C(C)=O
InChIInChI=1S/C11H14FNO/c1-8(14)11(13-2)7-9-5-3-4-6-10(9)12/h3-6,11,13H,7H2,1-2H3
InChIKeyGHPDKNDQTJFKKS-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.55
Rot. Bonds4

About 4-(2-fluorophenyl)-3-(methylamino)butan-2-one

4-(2-fluorophenyl)-3-(methylamino)butan-2-one (PubChem CID 76637468) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-3-(methylamino)butan-2-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-3-(methylamino)butan-2-one
PubChem CID76637468
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name4-(2-fluorophenyl)-3-(methylamino)butan-2-one
SMILESCNC(Cc1ccccc1F)C(C)=O
InChIInChI=1S/C11H14FNO/c1-8(14)11(13-2)7-9-5-3-4-6-10(9)12/h3-6,11,13H,7H2,1-2H3
InChIKeyGHPDKNDQTJFKKS-UHFFFAOYSA-N
XLogP1.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
2-amino-3-(2-fluorophenyl)-N-methylpropanamide
CID 116850583
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
(3S)-4-(3-chlorophenyl)-3-(methylamino)butan-2-one;(3S)-4-(2-fluorophenyl)-3-(methylamino)butan-2-one;(3S)-4-(3-fluorophenyl)-3-(methylamino)butan-2-one;(3S)-4-(4-fluorophenyl)-3-(methylamino)butan-2-one;methane;(3S)-3-(methylamino)-4-(3,4,5-trifluorophenyl)butan-2-one;molecular fluorine;hydrofluoride
CID 162215634
3-(2-fluorophenyl)-2-methylpropanethioic S-acid
CID 139753124
3-(2-fluorophenyl)-2-(hydroxymethylamino)propanoic acid
CID 134271011
[(2S)-3-(2-fluorophenyl)-1-methyliodanuidyl-1-oxopropan-2-yl]carbamic acid
CID 163619235
(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one
CID 59048252
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
(4R)-4-amino-5-(2-fluorophenyl)pentan-2-one
CID 59650649
1-(2-fluorophenyl)-3-(methylamino)propan-2-ol
CID 64989565
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-3-(methylamino)butan-2-one?
The IUPAC name of 4-(2-fluorophenyl)-3-(methylamino)butan-2-one (CID 76637468) is 4-(2-fluorophenyl)-3-(methylamino)butan-2-one.
What is the SMILES notation for 4-(2-fluorophenyl)-3-(methylamino)butan-2-one?
The canonical SMILES for 4-(2-fluorophenyl)-3-(methylamino)butan-2-one is CNC(Cc1ccccc1F)C(C)=O.
What is the InChIKey of 4-(2-fluorophenyl)-3-(methylamino)butan-2-one?
The InChIKey is GHPDKNDQTJFKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-8(14)11(13-2)7-9-5-3-4-6-10(9)12/h3-6,11,13H,7H2,1-2H3.
What are the key properties of 4-(2-fluorophenyl)-3-(methylamino)butan-2-one?
4-(2-fluorophenyl)-3-(methylamino)butan-2-one has a molecular weight of 195.24 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-3-(methylamino)butan-2-one is sourced from PubChem (CID 76637468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).