cyclohexyl 2-amino-3,3,3-trifluoro-2-methylpropanoate

C10H16F3NO2 — CID 79798595

IUPACcyclohexyl 2-amino-3,3,3-trifluoro-2-methylpropanoate
SMILESCC(N)(C(=O)OC1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-9(14,10(11,12)13)8(15)16-7-5-3-2-4-6-7/h7H,2-6,14H2,1H3
InChIKeyIBZXWMLJDKYQMA-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.14
Rot. Bonds2

About cyclohexyl 2-amino-3,3,3-trifluoro-2-methylpropanoate

cyclohexyl 2-amino-3,3,3-trifluoro-2-methylpropanoate (PubChem CID 79798595) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is cyclohexyl 2-amino-3,3,3-trifluoro-2-methylpropanoate.

Molecular Properties

Compound Namecyclohexyl 2-amino-3,3,3-trifluoro-2-methylpropanoate
PubChem CID79798595
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Namecyclohexyl 2-amino-3,3,3-trifluoro-2-methylpropanoate
SMILESCC(N)(C(=O)OC1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-9(14,10(11,12)13)8(15)16-7-5-3-2-4-6-7/h7H,2-6,14H2,1H3
InChIKeyIBZXWMLJDKYQMA-UHFFFAOYSA-N
XLogP2.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-amino-3,3,3-trifluoro-2-methylpropanoate?
The IUPAC name of cyclohexyl 2-amino-3,3,3-trifluoro-2-methylpropanoate (CID 79798595) is cyclohexyl 2-amino-3,3,3-trifluoro-2-methylpropanoate.
What is the SMILES notation for cyclohexyl 2-amino-3,3,3-trifluoro-2-methylpropanoate?
The canonical SMILES for cyclohexyl 2-amino-3,3,3-trifluoro-2-methylpropanoate is CC(N)(C(=O)OC1CCCCC1)C(F)(F)F.
What is the InChIKey of cyclohexyl 2-amino-3,3,3-trifluoro-2-methylpropanoate?
The InChIKey is IBZXWMLJDKYQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-9(14,10(11,12)13)8(15)16-7-5-3-2-4-6-7/h7H,2-6,14H2,1H3.
What are the key properties of cyclohexyl 2-amino-3,3,3-trifluoro-2-methylpropanoate?
cyclohexyl 2-amino-3,3,3-trifluoro-2-methylpropanoate has a molecular weight of 239.24 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-amino-3,3,3-trifluoro-2-methylpropanoate is sourced from PubChem (CID 79798595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).