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

C11H14FNO — CID 22983739

IUPAC4-(4-fluorophenyl)-3-(methylamino)butan-2-one
SMILESCNC(Cc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C11H14FNO/c1-8(14)11(13-2)7-9-3-5-10(12)6-4-9/h3-6,11,13H,7H2,1-2H3
InChIKeyPCFPWNFDEHGUCN-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.55
Rot. Bonds4

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

4-(4-fluorophenyl)-3-(methylamino)butan-2-one (PubChem CID 22983739) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-(methylamino)butan-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-(methylamino)butan-2-one
PubChem CID22983739
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name4-(4-fluorophenyl)-3-(methylamino)butan-2-one
SMILESCNC(Cc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C11H14FNO/c1-8(14)11(13-2)7-9-3-5-10(12)6-4-9/h3-6,11,13H,7H2,1-2H3
InChIKeyPCFPWNFDEHGUCN-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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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-(methylamino)butan-2-one?
The IUPAC name of 4-(4-fluorophenyl)-3-(methylamino)butan-2-one (CID 22983739) is 4-(4-fluorophenyl)-3-(methylamino)butan-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-3-(methylamino)butan-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-3-(methylamino)butan-2-one is CNC(Cc1ccc(F)cc1)C(C)=O.
What is the InChIKey of 4-(4-fluorophenyl)-3-(methylamino)butan-2-one?
The InChIKey is PCFPWNFDEHGUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-8(14)11(13-2)7-9-3-5-10(12)6-4-9/h3-6,11,13H,7H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-3-(methylamino)butan-2-one?
4-(4-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-(4-fluorophenyl)-3-(methylamino)butan-2-one is sourced from PubChem (CID 22983739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).