3-amino-1-(2,6-dichlorophenyl)-4,4,4-trifluoro-3-methylbutan-2-one

C11H10Cl2F3NO — CID 116592914

IUPAC3-amino-1-(2,6-dichlorophenyl)-4,4,4-trifluoro-3-methylbutan-2-one
SMILESCC(N)(C(=O)Cc1c(Cl)cccc1Cl)C(F)(F)F
InChIInChI=1S/C11H10Cl2F3NO/c1-10(17,11(14,15)16)9(18)5-6-7(12)3-2-4-8(6)13/h2-4H,5,17H2,1H3
InChIKeyIYTODZFISPVRQD-UHFFFAOYSA-N
MW300.11 g/mol
LogP3.38
Rot. Bonds3

About 3-amino-1-(2,6-dichlorophenyl)-4,4,4-trifluoro-3-methylbutan-2-one

3-amino-1-(2,6-dichlorophenyl)-4,4,4-trifluoro-3-methylbutan-2-one (PubChem CID 116592914) has the molecular formula C11H10Cl2F3NO and a molecular weight of 300.11 g/mol. Its IUPAC name is 3-amino-1-(2,6-dichlorophenyl)-4,4,4-trifluoro-3-methylbutan-2-one.

Molecular Properties

Compound Name3-amino-1-(2,6-dichlorophenyl)-4,4,4-trifluoro-3-methylbutan-2-one
PubChem CID116592914
Molecular FormulaC11H10Cl2F3NO
Molecular Weight300.11 g/mol
Exact Mass299.01
IUPAC Name3-amino-1-(2,6-dichlorophenyl)-4,4,4-trifluoro-3-methylbutan-2-one
SMILESCC(N)(C(=O)Cc1c(Cl)cccc1Cl)C(F)(F)F
InChIInChI=1S/C11H10Cl2F3NO/c1-10(17,11(14,15)16)9(18)5-6-7(12)3-2-4-8(6)13/h2-4H,5,17H2,1H3
InChIKeyIYTODZFISPVRQD-UHFFFAOYSA-N
XLogP3.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2,6-dimethylphenyl)-4,4,4-trifluoro-3-methylbutan-2-one
CID 116592982
1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylbutan-2-one
CID 79046022
4-amino-1-(2,6-dichlorophenyl)-4-methylpentan-2-one
CID 116580998
3-amino-4,4,4-trifluoro-1-(3-hydroxyphenyl)-3-methylbutan-2-one
CID 116592903
3-amino-4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-one
CID 116593098
1-(2,3-dichlorophenyl)-3,3-difluorobutan-2-one
CID 130757125
1-(2,6-dichlorophenyl)-5,5,5-trifluoropentan-2-one
CID 64567976
N-(1-amino-2-methylpropan-2-yl)-2-(2,6-dichlorophenyl)acetamide
CID 119524754
2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-3,3,3-trifluoro-2-methylpropanamide
CID 79796905
3-amino-4,4,4-trifluoro-3-methyl-1-quinolin-2-ylbutan-2-one
CID 116593146
N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81483240
1-(2,6-dichlorophenyl)-4,4-dimethylpentan-3-one
CID 43370354

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,6-dichlorophenyl)-4,4,4-trifluoro-3-methylbutan-2-one?
The IUPAC name of 3-amino-1-(2,6-dichlorophenyl)-4,4,4-trifluoro-3-methylbutan-2-one (CID 116592914) is 3-amino-1-(2,6-dichlorophenyl)-4,4,4-trifluoro-3-methylbutan-2-one.
What is the SMILES notation for 3-amino-1-(2,6-dichlorophenyl)-4,4,4-trifluoro-3-methylbutan-2-one?
The canonical SMILES for 3-amino-1-(2,6-dichlorophenyl)-4,4,4-trifluoro-3-methylbutan-2-one is CC(N)(C(=O)Cc1c(Cl)cccc1Cl)C(F)(F)F.
What is the InChIKey of 3-amino-1-(2,6-dichlorophenyl)-4,4,4-trifluoro-3-methylbutan-2-one?
The InChIKey is IYTODZFISPVRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2F3NO/c1-10(17,11(14,15)16)9(18)5-6-7(12)3-2-4-8(6)13/h2-4H,5,17H2,1H3.
What are the key properties of 3-amino-1-(2,6-dichlorophenyl)-4,4,4-trifluoro-3-methylbutan-2-one?
3-amino-1-(2,6-dichlorophenyl)-4,4,4-trifluoro-3-methylbutan-2-one has a molecular weight of 300.11 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,6-dichlorophenyl)-4,4,4-trifluoro-3-methylbutan-2-one is sourced from PubChem (CID 116592914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).