2-amino-1,1,1-trifluoro-2,6,6-trimethylheptan-3-one

C10H18F3NO — CID 116592893

IUPAC2-amino-1,1,1-trifluoro-2,6,6-trimethylheptan-3-one
SMILESCC(C)(C)CCC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-8(2,3)6-5-7(15)9(4,14)10(11,12)13/h5-6,14H2,1-4H3
InChIKeyCQPCGIMDUARFCA-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.66
Rot. Bonds3

About 2-amino-1,1,1-trifluoro-2,6,6-trimethylheptan-3-one

2-amino-1,1,1-trifluoro-2,6,6-trimethylheptan-3-one (PubChem CID 116592893) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-amino-1,1,1-trifluoro-2,6,6-trimethylheptan-3-one.

Molecular Properties

Compound Name2-amino-1,1,1-trifluoro-2,6,6-trimethylheptan-3-one
PubChem CID116592893
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2-amino-1,1,1-trifluoro-2,6,6-trimethylheptan-3-one
SMILESCC(C)(C)CCC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-8(2,3)6-5-7(15)9(4,14)10(11,12)13/h5-6,14H2,1-4H3
InChIKeyCQPCGIMDUARFCA-UHFFFAOYSA-N
XLogP2.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1,1,1,6,6,6-hexafluoro-2-methylhexan-3-one
CID 116593115
2-amino-1,1,1-trifluoro-2-methylpentadecan-3-one
CID 116593074
3-(aminomethyl)-3-ethyl-7,7-dimethyloctan-4-one
CID 116603712
2-(dimethylamino)-2,6,6-trimethylheptan-3-one
CID 79047134
3-amino-4,4,4-trifluoro-3-methyl-1-propoxybutan-2-one
CID 116593052
4,4-dimethylpentanamide;hydrochloride
CID 141202343
2-methoxy-2,6,6-trimethylheptan-3-one
CID 79196927
3-amino-1-(2,6-dimethylphenyl)-4,4,4-trifluoro-3-methylbutan-2-one
CID 116592982
methyl 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]butanoate
CID 79805889
5,5,5-trifluoro-4,4-dimethylpentanoic acid
CID 129074963
3-amino-1-(2,6-dichlorophenyl)-4,4,4-trifluoro-3-methylbutan-2-one
CID 116592914
2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide
CID 79789702

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,1,1-trifluoro-2,6,6-trimethylheptan-3-one?
The IUPAC name of 2-amino-1,1,1-trifluoro-2,6,6-trimethylheptan-3-one (CID 116592893) is 2-amino-1,1,1-trifluoro-2,6,6-trimethylheptan-3-one.
What is the SMILES notation for 2-amino-1,1,1-trifluoro-2,6,6-trimethylheptan-3-one?
The canonical SMILES for 2-amino-1,1,1-trifluoro-2,6,6-trimethylheptan-3-one is CC(C)(C)CCC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-1,1,1-trifluoro-2,6,6-trimethylheptan-3-one?
The InChIKey is CQPCGIMDUARFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-8(2,3)6-5-7(15)9(4,14)10(11,12)13/h5-6,14H2,1-4H3.
What are the key properties of 2-amino-1,1,1-trifluoro-2,6,6-trimethylheptan-3-one?
2-amino-1,1,1-trifluoro-2,6,6-trimethylheptan-3-one has a molecular weight of 225.25 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,1,1-trifluoro-2,6,6-trimethylheptan-3-one is sourced from PubChem (CID 116592893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).