ethyl 2-amino-2-cyclobutyl-3,3,3-trifluoropropanoate;hydrochloride

C9H15ClF3NO2 — CID 122163980

IUPACethyl 2-amino-2-cyclobutyl-3,3,3-trifluoropropanoate;hydrochloride
SMILESCCOC(=O)C(N)(C1CCC1)C(F)(F)F.Cl
InChIInChI=1S/C9H14F3NO2.ClH/c1-2-15-7(14)8(13,9(10,11)12)6-4-3-5-6;/h6H,2-5,13H2,1H3;1H
InChIKeyHAUDETZFEQWSOK-UHFFFAOYSA-N
MW261.67 g/mol
LogP2.03
Rot. Bonds3

About ethyl 2-amino-2-cyclobutyl-3,3,3-trifluoropropanoate;hydrochloride

ethyl 2-amino-2-cyclobutyl-3,3,3-trifluoropropanoate;hydrochloride (PubChem CID 122163980) has the molecular formula C9H15ClF3NO2 and a molecular weight of 261.67 g/mol. Its IUPAC name is ethyl 2-amino-2-cyclobutyl-3,3,3-trifluoropropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-2-cyclobutyl-3,3,3-trifluoropropanoate;hydrochloride
PubChem CID122163980
Molecular FormulaC9H15ClF3NO2
Molecular Weight261.67 g/mol
Exact Mass261.07
IUPAC Nameethyl 2-amino-2-cyclobutyl-3,3,3-trifluoropropanoate;hydrochloride
SMILESCCOC(=O)C(N)(C1CCC1)C(F)(F)F.Cl
InChIInChI=1S/C9H14F3NO2.ClH/c1-2-15-7(14)8(13,9(10,11)12)6-4-3-5-6;/h6H,2-5,13H2,1H3;1H
InChIKeyHAUDETZFEQWSOK-UHFFFAOYSA-N
XLogP2.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl (2S)-2-amino-2-(trifluoromethyl)butanoate
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ethyl 2-cyclohexyl-2-ethoxypropanoate
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2-cycloheptyl-3-ethoxy-2-methyl-3-oxopropanoic acid
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CID 119032090

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-cyclobutyl-3,3,3-trifluoropropanoate;hydrochloride?
The IUPAC name of ethyl 2-amino-2-cyclobutyl-3,3,3-trifluoropropanoate;hydrochloride (CID 122163980) is ethyl 2-amino-2-cyclobutyl-3,3,3-trifluoropropanoate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-2-cyclobutyl-3,3,3-trifluoropropanoate;hydrochloride?
The canonical SMILES for ethyl 2-amino-2-cyclobutyl-3,3,3-trifluoropropanoate;hydrochloride is CCOC(=O)C(N)(C1CCC1)C(F)(F)F.Cl.
What is the InChIKey of ethyl 2-amino-2-cyclobutyl-3,3,3-trifluoropropanoate;hydrochloride?
The InChIKey is HAUDETZFEQWSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2.ClH/c1-2-15-7(14)8(13,9(10,11)12)6-4-3-5-6;/h6H,2-5,13H2,1H3;1H.
What are the key properties of ethyl 2-amino-2-cyclobutyl-3,3,3-trifluoropropanoate;hydrochloride?
ethyl 2-amino-2-cyclobutyl-3,3,3-trifluoropropanoate;hydrochloride has a molecular weight of 261.67 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-cyclobutyl-3,3,3-trifluoropropanoate;hydrochloride is sourced from PubChem (CID 122163980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).