1-[4-(3,3-difluoropropylamino)phenyl]ethanone

C11H13F2NO — CID 84679618

IUPAC1-[4-(3,3-difluoropropylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NCCC(F)F)cc1
InChIInChI=1S/C11H13F2NO/c1-8(15)9-2-4-10(5-3-9)14-7-6-11(12)13/h2-5,11,14H,6-7H2,1H3
InChIKeyWPFADBDRWHHNPN-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.96
Rot. Bonds5

About 1-[4-(3,3-difluoropropylamino)phenyl]ethanone

1-[4-(3,3-difluoropropylamino)phenyl]ethanone (PubChem CID 84679618) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-[4-(3,3-difluoropropylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3,3-difluoropropylamino)phenyl]ethanone
PubChem CID84679618
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-[4-(3,3-difluoropropylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NCCC(F)F)cc1
InChIInChI=1S/C11H13F2NO/c1-8(15)9-2-4-10(5-3-9)14-7-6-11(12)13/h2-5,11,14H,6-7H2,1H3
InChIKeyWPFADBDRWHHNPN-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,3-difluoropropylamino)benzoic acid
CID 84680878
1-[4-(propylamino)phenyl]ethanone
CID 7304598
N-[2-(4-acetylanilino)ethyl]acetamide
CID 115573849
1-[4-(2-methylsulfinylethylamino)phenyl]ethanone
CID 114468465
1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone
CID 24826943
1-[4-(3-methylbutylamino)phenyl]propan-1-one
CID 95443510
3-(4-acetylanilino)-N,N-dimethylpropanamide
CID 114468155
1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216733
1-[4-(2-cyclobutylethylamino)phenyl]ethanone
CID 114468462
1-[4-(2-ethoxypropylamino)phenyl]ethanone
CID 114468455
N-(4-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195667
N-[3-(4-acetylanilino)propyl]-N-ethylmethanesulfonamide
CID 115587023

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,3-difluoropropylamino)phenyl]ethanone?
The IUPAC name of 1-[4-(3,3-difluoropropylamino)phenyl]ethanone (CID 84679618) is 1-[4-(3,3-difluoropropylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(3,3-difluoropropylamino)phenyl]ethanone?
The canonical SMILES for 1-[4-(3,3-difluoropropylamino)phenyl]ethanone is CC(=O)c1ccc(NCCC(F)F)cc1.
What is the InChIKey of 1-[4-(3,3-difluoropropylamino)phenyl]ethanone?
The InChIKey is WPFADBDRWHHNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-8(15)9-2-4-10(5-3-9)14-7-6-11(12)13/h2-5,11,14H,6-7H2,1H3.
What are the key properties of 1-[4-(3,3-difluoropropylamino)phenyl]ethanone?
1-[4-(3,3-difluoropropylamino)phenyl]ethanone has a molecular weight of 213.23 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,3-difluoropropylamino)phenyl]ethanone is sourced from PubChem (CID 84679618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).