3-amino-1-[4-(2,2-difluoroethoxy)phenyl]propan-1-one

C11H13F2NO2 — CID 84792637

IUPAC3-amino-1-[4-(2,2-difluoroethoxy)phenyl]propan-1-one
SMILESNCCC(=O)c1ccc(OCC(F)F)cc1
InChIInChI=1S/C11H13F2NO2/c12-11(13)7-16-9-3-1-8(2-4-9)10(15)5-6-14/h1-4,11H,5-7,14H2
InChIKeyCMKUPDNDVKFVSW-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.86
Rot. Bonds6

About 3-amino-1-[4-(2,2-difluoroethoxy)phenyl]propan-1-one

3-amino-1-[4-(2,2-difluoroethoxy)phenyl]propan-1-one (PubChem CID 84792637) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 3-amino-1-[4-(2,2-difluoroethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(2,2-difluoroethoxy)phenyl]propan-1-one
PubChem CID84792637
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name3-amino-1-[4-(2,2-difluoroethoxy)phenyl]propan-1-one
SMILESNCCC(=O)c1ccc(OCC(F)F)cc1
InChIInChI=1S/C11H13F2NO2/c12-11(13)7-16-9-3-1-8(2-4-9)10(15)5-6-14/h1-4,11H,5-7,14H2
InChIKeyCMKUPDNDVKFVSW-UHFFFAOYSA-N
XLogP1.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one
CID 82341495
3-[4-(2,2-difluoroethoxy)phenyl]propan-1-amine
CID 84783908
2-amino-2-[4-(2,2-difluoroethoxy)phenyl]acetic acid
CID 84794175
3-amino-1-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-1-one
CID 117376258
3-methoxy-1-[4-(2-methylpropoxy)phenyl]propan-1-one
CID 82050414
3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one
CID 82606899
4-amino-1-(4-ethoxyphenyl)pentan-1-one
CID 116571550
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
4-amino-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 82341479
3-amino-1-[3-(2,2-difluoroethyl)phenyl]propan-1-one
CID 117303825
3-amino-1-[4-(3-fluoropropyl)phenyl]propan-1-one
CID 117298773
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(2,2-difluoroethoxy)phenyl]propan-1-one?
The IUPAC name of 3-amino-1-[4-(2,2-difluoroethoxy)phenyl]propan-1-one (CID 84792637) is 3-amino-1-[4-(2,2-difluoroethoxy)phenyl]propan-1-one.
What is the SMILES notation for 3-amino-1-[4-(2,2-difluoroethoxy)phenyl]propan-1-one?
The canonical SMILES for 3-amino-1-[4-(2,2-difluoroethoxy)phenyl]propan-1-one is NCCC(=O)c1ccc(OCC(F)F)cc1.
What is the InChIKey of 3-amino-1-[4-(2,2-difluoroethoxy)phenyl]propan-1-one?
The InChIKey is CMKUPDNDVKFVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c12-11(13)7-16-9-3-1-8(2-4-9)10(15)5-6-14/h1-4,11H,5-7,14H2.
What are the key properties of 3-amino-1-[4-(2,2-difluoroethoxy)phenyl]propan-1-one?
3-amino-1-[4-(2,2-difluoroethoxy)phenyl]propan-1-one has a molecular weight of 229.23 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(2,2-difluoroethoxy)phenyl]propan-1-one is sourced from PubChem (CID 84792637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).