3-amino-1,1,1-trifluoro-4-methylpentan-2-one;hydrochloride

C6H11ClF3NO — CID 18801008

IUPAC3-amino-1,1,1-trifluoro-4-methylpentan-2-one;hydrochloride
SMILESCC(C)C(N)C(=O)C(F)(F)F.Cl
InChIInChI=1S/C6H10F3NO.ClH/c1-3(2)4(10)5(11)6(7,8)9;/h3-4H,10H2,1-2H3;1H
InChIKeyOALNIPIQHCZFHE-UHFFFAOYSA-N
MW205.61 g/mol
LogP1.52
Rot. Bonds2

About 3-amino-1,1,1-trifluoro-4-methylpentan-2-one;hydrochloride

3-amino-1,1,1-trifluoro-4-methylpentan-2-one;hydrochloride (PubChem CID 18801008) has the molecular formula C6H11ClF3NO and a molecular weight of 205.61 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-4-methylpentan-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-4-methylpentan-2-one;hydrochloride
PubChem CID18801008
Molecular FormulaC6H11ClF3NO
Molecular Weight205.61 g/mol
Exact Mass205.05
IUPAC Name3-amino-1,1,1-trifluoro-4-methylpentan-2-one;hydrochloride
SMILESCC(C)C(N)C(=O)C(F)(F)F.Cl
InChIInChI=1S/C6H10F3NO.ClH/c1-3(2)4(10)5(11)6(7,8)9;/h3-4H,10H2,1-2H3;1H
InChIKeyOALNIPIQHCZFHE-UHFFFAOYSA-N
XLogP1.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.61
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-4-methylpentan-2-one;hydrochloride?
The IUPAC name of 3-amino-1,1,1-trifluoro-4-methylpentan-2-one;hydrochloride (CID 18801008) is 3-amino-1,1,1-trifluoro-4-methylpentan-2-one;hydrochloride.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-4-methylpentan-2-one;hydrochloride?
The canonical SMILES for 3-amino-1,1,1-trifluoro-4-methylpentan-2-one;hydrochloride is CC(C)C(N)C(=O)C(F)(F)F.Cl.
What is the InChIKey of 3-amino-1,1,1-trifluoro-4-methylpentan-2-one;hydrochloride?
The InChIKey is OALNIPIQHCZFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO.ClH/c1-3(2)4(10)5(11)6(7,8)9;/h3-4H,10H2,1-2H3;1H.
What are the key properties of 3-amino-1,1,1-trifluoro-4-methylpentan-2-one;hydrochloride?
3-amino-1,1,1-trifluoro-4-methylpentan-2-one;hydrochloride has a molecular weight of 205.61 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-4-methylpentan-2-one;hydrochloride is sourced from PubChem (CID 18801008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).