2-amino-1-[2-(difluoromethyl)-5-methylphenyl]propan-1-one

C11H13F2NO — CID 84679608

IUPAC2-amino-1-[2-(difluoromethyl)-5-methylphenyl]propan-1-one
SMILESCc1ccc(C(F)F)c(C(=O)C(C)N)c1
InChIInChI=1S/C11H13F2NO/c1-6-3-4-8(11(12)13)9(5-6)10(15)7(2)14/h3-5,7,11H,14H2,1-2H3
InChIKeyOUBGCDDZRKBELM-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.46
Rot. Bonds3

About 2-amino-1-[2-(difluoromethyl)-5-methylphenyl]propan-1-one

2-amino-1-[2-(difluoromethyl)-5-methylphenyl]propan-1-one (PubChem CID 84679608) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-amino-1-[2-(difluoromethyl)-5-methylphenyl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(difluoromethyl)-5-methylphenyl]propan-1-one
PubChem CID84679608
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-amino-1-[2-(difluoromethyl)-5-methylphenyl]propan-1-one
SMILESCc1ccc(C(F)F)c(C(=O)C(C)N)c1
InChIInChI=1S/C11H13F2NO/c1-6-3-4-8(11(12)13)9(5-6)10(15)7(2)14/h3-5,7,11H,14H2,1-2H3
InChIKeyOUBGCDDZRKBELM-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[2-(difluoromethyl)phenyl]propan-1-one
CID 84668702
2-chloro-1-[2-(difluoromethyl)-4-methylphenyl]propan-1-one
CID 131415282
2-amino-1-(5-chloro-2-propan-2-ylphenyl)propan-1-one
CID 84690207
2-[(1R)-1,2-diaminoethyl]-5-methylbenzoic acid
CID 66516475
2-[(1S)-1-amino-2-hydroxyethyl]-5-methylbenzoic acid
CID 55274516
1-[2,5-bis(difluoromethyl)phenyl]-2-chloropropan-1-one
CID 166640748
1-[2-(difluoromethyl)-5-methylphenyl]propan-2-ol
CID 117289314
3-[2-(difluoromethyl)-5-methylphenyl]butan-1-amine
CID 117304369
(1S,2R)-1-amino-1-(2-fluoro-4-methylphenyl)butan-2-ol
CID 130683149
(2R)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171221518
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171201973
6-amino-1-(2-methoxy-5-methylphenyl)-2-methylheptan-1-one
CID 116574340

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(difluoromethyl)-5-methylphenyl]propan-1-one?
The IUPAC name of 2-amino-1-[2-(difluoromethyl)-5-methylphenyl]propan-1-one (CID 84679608) is 2-amino-1-[2-(difluoromethyl)-5-methylphenyl]propan-1-one.
What is the SMILES notation for 2-amino-1-[2-(difluoromethyl)-5-methylphenyl]propan-1-one?
The canonical SMILES for 2-amino-1-[2-(difluoromethyl)-5-methylphenyl]propan-1-one is Cc1ccc(C(F)F)c(C(=O)C(C)N)c1.
What is the InChIKey of 2-amino-1-[2-(difluoromethyl)-5-methylphenyl]propan-1-one?
The InChIKey is OUBGCDDZRKBELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-6-3-4-8(11(12)13)9(5-6)10(15)7(2)14/h3-5,7,11H,14H2,1-2H3.
What are the key properties of 2-amino-1-[2-(difluoromethyl)-5-methylphenyl]propan-1-one?
2-amino-1-[2-(difluoromethyl)-5-methylphenyl]propan-1-one has a molecular weight of 213.23 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(difluoromethyl)-5-methylphenyl]propan-1-one is sourced from PubChem (CID 84679608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).