3-amino-1-(5-ethyl-2,3-difluorophenyl)propan-1-one

C11H13F2NO — CID 117303820

IUPAC3-amino-1-(5-ethyl-2,3-difluorophenyl)propan-1-one
SMILESCCc1cc(F)c(F)c(C(=O)CCN)c1
InChIInChI=1S/C11H13F2NO/c1-2-7-5-8(10(15)3-4-14)11(13)9(12)6-7/h5-6H,2-4,14H2,1H3
InChIKeyJWHKLUOUDDTPHS-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.06
Rot. Bonds4

About 3-amino-1-(5-ethyl-2,3-difluorophenyl)propan-1-one

3-amino-1-(5-ethyl-2,3-difluorophenyl)propan-1-one (PubChem CID 117303820) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-amino-1-(5-ethyl-2,3-difluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(5-ethyl-2,3-difluorophenyl)propan-1-one
PubChem CID117303820
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-amino-1-(5-ethyl-2,3-difluorophenyl)propan-1-one
SMILESCCc1cc(F)c(F)c(C(=O)CCN)c1
InChIInChI=1S/C11H13F2NO/c1-2-7-5-8(10(15)3-4-14)11(13)9(12)6-7/h5-6H,2-4,14H2,1H3
InChIKeyJWHKLUOUDDTPHS-UHFFFAOYSA-N
XLogP2.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(5-ethyl-3-fluoro-2-methoxyphenyl)propan-1-one
CID 117323328
3-amino-1-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-one
CID 117412069
3-amino-1-(3-bromo-5-ethyl-2-hydroxyphenyl)propan-1-one
CID 117432660
2-amino-1-(3-bromo-5-ethyl-2-fluorophenyl)ethanone
CID 117403867
3-amino-1-(5-ethyl-2-propan-2-ylphenyl)propan-1-one
CID 117313299
3-amino-1-(5-bromo-2,3,4-trifluorophenyl)propan-1-one
CID 117452875
3-amino-1-(3,4,5-trifluorophenyl)propan-1-one
CID 131141781
3-amino-1-(3-bromo-2,5-difluorophenyl)propan-1-one
CID 117414290
methyl 2-(5-ethyl-2,3-difluorophenyl)-2-hydroxyacetate
CID 117332045
ethyl 2,3-difluoro-5-methylbenzoate
CID 122129684
3-amino-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-1-one
CID 117337381
2-amino-2-(5-ethyl-2,3-difluorophenyl)acetic acid
CID 117306246

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-ethyl-2,3-difluorophenyl)propan-1-one?
The IUPAC name of 3-amino-1-(5-ethyl-2,3-difluorophenyl)propan-1-one (CID 117303820) is 3-amino-1-(5-ethyl-2,3-difluorophenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(5-ethyl-2,3-difluorophenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(5-ethyl-2,3-difluorophenyl)propan-1-one is CCc1cc(F)c(F)c(C(=O)CCN)c1.
What is the InChIKey of 3-amino-1-(5-ethyl-2,3-difluorophenyl)propan-1-one?
The InChIKey is JWHKLUOUDDTPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-2-7-5-8(10(15)3-4-14)11(13)9(12)6-7/h5-6H,2-4,14H2,1H3.
What are the key properties of 3-amino-1-(5-ethyl-2,3-difluorophenyl)propan-1-one?
3-amino-1-(5-ethyl-2,3-difluorophenyl)propan-1-one has a molecular weight of 213.23 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-ethyl-2,3-difluorophenyl)propan-1-one is sourced from PubChem (CID 117303820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).