2-amino-1-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-one

C11H13F2NO — CID 84679562

IUPAC2-amino-1-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-one
SMILESCC(N)C(=O)c1cccc(F)c1C(C)F
InChIInChI=1S/C11H13F2NO/c1-6(12)10-8(11(15)7(2)14)4-3-5-9(10)13/h3-7H,14H2,1-2H3
InChIKeyZXFKDEDYNPGETI-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.39
Rot. Bonds3

About 2-amino-1-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-one

2-amino-1-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-one (PubChem CID 84679562) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-amino-1-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-one
PubChem CID84679562
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-amino-1-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-one
SMILESCC(N)C(=O)c1cccc(F)c1C(C)F
InChIInChI=1S/C11H13F2NO/c1-6(12)10-8(11(15)7(2)14)4-3-5-9(10)13/h3-7H,14H2,1-2H3
InChIKeyZXFKDEDYNPGETI-UHFFFAOYSA-N
XLogP2.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 82399071
2-amino-1-[2-(1-fluoroethyl)phenyl]propan-1-one
CID 84666194
2-amino-1-[2-(difluoromethyl)phenyl]propan-1-one
CID 84668702
2-amino-1-(8-fluoroindolizin-1-yl)propan-1-one
CID 169203280
(1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol
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2-amino-1-(3-hydroxy-2-methylphenyl)propan-1-one
CID 83827997
2-amino-1-(2-fluoro-6-methoxyphenyl)propan-1-one
CID 83808441
(2S)-2-amino-1-(2-sulfanylphenyl)propan-1-one
CID 91120134
(2R)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]propanamide;hydrochloride
CID 119285523
1-[3-fluoro-2-(1-fluoroethyl)phenyl]ethanol
CID 84660540
2-(1-aminopropyl)-3-fluorobenzoic acid
CID 55271295
2-amino-1-(3-ethyl-2-hydroxyphenyl)propan-1-one
CID 84664766

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-one?
The IUPAC name of 2-amino-1-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-one (CID 84679562) is 2-amino-1-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-one.
What is the SMILES notation for 2-amino-1-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-one?
The canonical SMILES for 2-amino-1-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-one is CC(N)C(=O)c1cccc(F)c1C(C)F.
What is the InChIKey of 2-amino-1-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-one?
The InChIKey is ZXFKDEDYNPGETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-6(12)10-8(11(15)7(2)14)4-3-5-9(10)13/h3-7H,14H2,1-2H3.
What are the key properties of 2-amino-1-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-one?
2-amino-1-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-one has a molecular weight of 213.23 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-one is sourced from PubChem (CID 84679562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).