1-(3,5-difluorophenyl)-3-(ethylamino)propan-1-one

C11H13F2NO — CID 116565909

IUPAC1-(3,5-difluorophenyl)-3-(ethylamino)propan-1-one
SMILESCCNCCC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2NO/c1-2-14-4-3-11(15)8-5-9(12)7-10(13)6-8/h5-7,14H,2-4H2,1H3
InChIKeyGINLLUIOOLVWFR-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.15
Rot. Bonds5

About 1-(3,5-difluorophenyl)-3-(ethylamino)propan-1-one

1-(3,5-difluorophenyl)-3-(ethylamino)propan-1-one (PubChem CID 116565909) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-(ethylamino)propan-1-one.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-(ethylamino)propan-1-one
PubChem CID116565909
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-(3,5-difluorophenyl)-3-(ethylamino)propan-1-one
SMILESCCNCCC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2NO/c1-2-14-4-3-11(15)8-5-9(12)7-10(13)6-8/h5-7,14H,2-4H2,1H3
InChIKeyGINLLUIOOLVWFR-UHFFFAOYSA-N
XLogP2.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoro-5-methylphenyl)-3-(methylamino)propan-1-one
CID 116561086
3-(tert-butylamino)-1-(3-fluoro-5-methylphenyl)propan-1-one
CID 116557876
1-(2-chloro-5-fluorophenyl)-3-(ethylamino)propan-1-one
CID 105396438
3-(ethylamino)-1-(4-ethylphenyl)propan-1-one
CID 94255299
N-[2-(ethylamino)ethyl]-3-fluoro-5-methylbenzamide;hydrochloride
CID 119504618
methyl 3-(3,5-difluorophenyl)-3-oxopropanoate
CID 69051625
1-(3-fluoro-5-methylphenyl)-4-(methylamino)butan-1-one
CID 116555569
1-(3,5-difluorophenyl)-4-methoxybutan-1-one
CID 62619901
N-(3-chloro-5-fluorophenyl)-3-(ethylamino)propanamide
CID 107365757
3-(3,5-difluorophenyl)-3-oxopropanal
CID 55268214
1-(3,5-difluorophenyl)-3-propan-2-yloxypropan-1-one
CID 115003065
N-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 119509675

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-(ethylamino)propan-1-one?
The IUPAC name of 1-(3,5-difluorophenyl)-3-(ethylamino)propan-1-one (CID 116565909) is 1-(3,5-difluorophenyl)-3-(ethylamino)propan-1-one.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-(ethylamino)propan-1-one?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-(ethylamino)propan-1-one is CCNCCC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-(ethylamino)propan-1-one?
The InChIKey is GINLLUIOOLVWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-2-14-4-3-11(15)8-5-9(12)7-10(13)6-8/h5-7,14H,2-4H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-3-(ethylamino)propan-1-one?
1-(3,5-difluorophenyl)-3-(ethylamino)propan-1-one has a molecular weight of 213.23 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-(ethylamino)propan-1-one is sourced from PubChem (CID 116565909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).