3-amino-1-[3-(2,2-difluoroethyl)phenyl]propan-1-one

C11H13F2NO — CID 117303825

IUPAC3-amino-1-[3-(2,2-difluoroethyl)phenyl]propan-1-one
SMILESNCCC(=O)c1cccc(CC(F)F)c1
InChIInChI=1S/C11H13F2NO/c12-11(13)7-8-2-1-3-9(6-8)10(15)4-5-14/h1-3,6,11H,4-5,7,14H2
InChIKeyRAHJXHGWUCQVKZ-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.03
Rot. Bonds5

About 3-amino-1-[3-(2,2-difluoroethyl)phenyl]propan-1-one

3-amino-1-[3-(2,2-difluoroethyl)phenyl]propan-1-one (PubChem CID 117303825) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-amino-1-[3-(2,2-difluoroethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[3-(2,2-difluoroethyl)phenyl]propan-1-one
PubChem CID117303825
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-amino-1-[3-(2,2-difluoroethyl)phenyl]propan-1-one
SMILESNCCC(=O)c1cccc(CC(F)F)c1
InChIInChI=1S/C11H13F2NO/c12-11(13)7-8-2-1-3-9(6-8)10(15)4-5-14/h1-3,6,11H,4-5,7,14H2
InChIKeyRAHJXHGWUCQVKZ-UHFFFAOYSA-N
XLogP2.03
TPSA43.09 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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-[3-(fluoromethyl)phenyl]propan-1-one
CID 117278674
3-amino-1-[3-(2,2,2-trifluoroethyl)phenyl]propan-1-one
CID 117333697
ethyl 2-[3-(2,2-difluoroethyl)phenyl]-2-oxoacetate
CID 117357101
4-(2-aminoethyl)-1-[3-(2-methylpropyl)phenyl]heptan-1-one
CID 116583003
3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride
CID 91971197
6-amino-1-(3-ethylphenyl)hexan-1-one
CID 116550033
3-(2,2-difluoroethoxy)-1-(3-ethylphenyl)propan-1-one
CID 103147217
1-[3-(2-methylpropyl)phenyl]hexan-1-one
CID 115812383
3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one
CID 116543141
4-amino-4-[3-(2,2-difluoroethyl)phenyl]butanoic acid
CID 117359454
2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543144
3-(3-aminopropanoyl)benzonitrile
CID 117277123

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(2,2-difluoroethyl)phenyl]propan-1-one?
The IUPAC name of 3-amino-1-[3-(2,2-difluoroethyl)phenyl]propan-1-one (CID 117303825) is 3-amino-1-[3-(2,2-difluoroethyl)phenyl]propan-1-one.
What is the SMILES notation for 3-amino-1-[3-(2,2-difluoroethyl)phenyl]propan-1-one?
The canonical SMILES for 3-amino-1-[3-(2,2-difluoroethyl)phenyl]propan-1-one is NCCC(=O)c1cccc(CC(F)F)c1.
What is the InChIKey of 3-amino-1-[3-(2,2-difluoroethyl)phenyl]propan-1-one?
The InChIKey is RAHJXHGWUCQVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-11(13)7-8-2-1-3-9(6-8)10(15)4-5-14/h1-3,6,11H,4-5,7,14H2.
What are the key properties of 3-amino-1-[3-(2,2-difluoroethyl)phenyl]propan-1-one?
3-amino-1-[3-(2,2-difluoroethyl)phenyl]propan-1-one has a molecular weight of 213.23 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(2,2-difluoroethyl)phenyl]propan-1-one is sourced from PubChem (CID 117303825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).