3-amino-1,1,1-trifluoropentan-2-one;hydrochloride

C5H9ClF3NO — CID 18800999

IUPAC3-amino-1,1,1-trifluoropentan-2-one;hydrochloride
SMILESCCC(N)C(=O)C(F)(F)F.Cl
InChIInChI=1S/C5H8F3NO.ClH/c1-2-3(9)4(10)5(6,7)8;/h3H,2,9H2,1H3;1H
InChIKeyCORJABMEMZNFQB-UHFFFAOYSA-N
MW191.58 g/mol
LogP1.28
Rot. Bonds2

About 3-amino-1,1,1-trifluoropentan-2-one;hydrochloride

3-amino-1,1,1-trifluoropentan-2-one;hydrochloride (PubChem CID 18800999) has the molecular formula C5H9ClF3NO and a molecular weight of 191.58 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoropentan-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoropentan-2-one;hydrochloride
PubChem CID18800999
Molecular FormulaC5H9ClF3NO
Molecular Weight191.58 g/mol
Exact Mass191.03
IUPAC Name3-amino-1,1,1-trifluoropentan-2-one;hydrochloride
SMILESCCC(N)C(=O)C(F)(F)F.Cl
InChIInChI=1S/C5H8F3NO.ClH/c1-2-3(9)4(10)5(6,7)8;/h3H,2,9H2,1H3;1H
InChIKeyCORJABMEMZNFQB-UHFFFAOYSA-N
XLogP1.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.58
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-Difluoro-3-(methylamino)pentan-2-one
CID 59493768
3-Aminopentan-2-one
CID 12446998
3-Aminopentan-2-one--hydrogen chloride (1/1)
CID 12446999
[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]azanium chloride
CID 10608323
(3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-one
CID 10608324
(S)-3-Amino-1,1,1-trifluoro-2-butanone
CID 10678875
3-Amino-1,1,1-trifluoro-4-methylpentan-2-one
CID 16228653
3-Amino-1,1,1-trifluorobutan-2-one
CID 16228654
3-Amino-1,1,1-trifluoropentan-2-one
CID 18801000
3-Amino-1,1,1-trifluoro-4-methyl-2-pentanone Hydrochloride
CID 18801008
3-Amino-4,4,4-trifluorobutan-2-one;hydrochloride
CID 19936527
3-Amino-4,4,4-trifluorobutan-2-one
CID 19936528

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoropentan-2-one;hydrochloride?
The IUPAC name of 3-amino-1,1,1-trifluoropentan-2-one;hydrochloride (CID 18800999) is 3-amino-1,1,1-trifluoropentan-2-one;hydrochloride.
What is the SMILES notation for 3-amino-1,1,1-trifluoropentan-2-one;hydrochloride?
The canonical SMILES for 3-amino-1,1,1-trifluoropentan-2-one;hydrochloride is CCC(N)C(=O)C(F)(F)F.Cl.
What is the InChIKey of 3-amino-1,1,1-trifluoropentan-2-one;hydrochloride?
The InChIKey is CORJABMEMZNFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO.ClH/c1-2-3(9)4(10)5(6,7)8;/h3H,2,9H2,1H3;1H.
What are the key properties of 3-amino-1,1,1-trifluoropentan-2-one;hydrochloride?
3-amino-1,1,1-trifluoropentan-2-one;hydrochloride has a molecular weight of 191.58 g/mol, XLogP of 1.28, 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-trifluoropentan-2-one;hydrochloride is sourced from PubChem (CID 18800999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).