1-(4-fluorophenyl)-3-(methylamino)propan-2-one

C10H12FNO — CID 83636230

IUPAC1-(4-fluorophenyl)-3-(methylamino)propan-2-one
SMILESCNCC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C10H12FNO/c1-12-7-10(13)6-8-2-4-9(11)5-3-8/h2-5,12H,6-7H2,1H3
InChIKeyCADFGTVRTQGYKG-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.16
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(methylamino)propan-2-one

1-(4-fluorophenyl)-3-(methylamino)propan-2-one (PubChem CID 83636230) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(methylamino)propan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(methylamino)propan-2-one
PubChem CID83636230
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name1-(4-fluorophenyl)-3-(methylamino)propan-2-one
SMILESCNCC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C10H12FNO/c1-12-7-10(13)6-8-2-4-9(11)5-3-8/h2-5,12H,6-7H2,1H3
InChIKeyCADFGTVRTQGYKG-UHFFFAOYSA-N
XLogP1.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(ethylamino)-3-(4-fluorophenyl)propan-2-one
CID 116562482
1-(4-fluorophenyl)pentane-2,4-dione
CID 57447744
1-(4-fluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551750
1-(4-fluorophenyl)-4-(propan-2-ylamino)butan-2-one
CID 116556389
1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-one
CID 43802012
1-(4-fluorophenyl)butane-2,3-dione
CID 83696223
1-(4-fluorophenyl)pent-4-en-2-one
CID 61380162
2-(4-fluorophenyl)-N-(3-methyl-2-oxobutyl)acetamide
CID 64996810
7-amino-1-(4-fluorophenyl)-5,5-dimethylheptan-2-one
CID 116574767
1-[[2-(4-fluorophenyl)acetyl]amino]-3-methylthiourea
CID 8789219
1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-2-one
CID 114863220
5,5,5-trifluoro-1-(4-fluorophenyl)pentan-2-one
CID 64565924

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(methylamino)propan-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(methylamino)propan-2-one (CID 83636230) is 1-(4-fluorophenyl)-3-(methylamino)propan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(methylamino)propan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(methylamino)propan-2-one is CNCC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(methylamino)propan-2-one?
The InChIKey is CADFGTVRTQGYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-12-7-10(13)6-8-2-4-9(11)5-3-8/h2-5,12H,6-7H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(methylamino)propan-2-one?
1-(4-fluorophenyl)-3-(methylamino)propan-2-one has a molecular weight of 181.21 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(methylamino)propan-2-one is sourced from PubChem (CID 83636230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).