(2-ethylcyclohexyl) 2-amino-3,3,3-trifluoro-2-methylpropanoate

C12H20F3NO2 — CID 79797905

IUPAC(2-ethylcyclohexyl) 2-amino-3,3,3-trifluoro-2-methylpropanoate
SMILESCCC1CCCCC1OC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C12H20F3NO2/c1-3-8-6-4-5-7-9(8)18-10(17)11(2,16)12(13,14)15/h8-9H,3-7,16H2,1-2H3
InChIKeyRRJNQGSKDNVGED-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.78
Rot. Bonds3

About (2-ethylcyclohexyl) 2-amino-3,3,3-trifluoro-2-methylpropanoate

(2-ethylcyclohexyl) 2-amino-3,3,3-trifluoro-2-methylpropanoate (PubChem CID 79797905) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is (2-ethylcyclohexyl) 2-amino-3,3,3-trifluoro-2-methylpropanoate.

Molecular Properties

Compound Name(2-ethylcyclohexyl) 2-amino-3,3,3-trifluoro-2-methylpropanoate
PubChem CID79797905
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name(2-ethylcyclohexyl) 2-amino-3,3,3-trifluoro-2-methylpropanoate
SMILESCCC1CCCCC1OC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C12H20F3NO2/c1-3-8-6-4-5-7-9(8)18-10(17)11(2,16)12(13,14)15/h8-9H,3-7,16H2,1-2H3
InChIKeyRRJNQGSKDNVGED-UHFFFAOYSA-N
XLogP2.78
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl) 2-amino-3,3,3-trifluoro-2-methylpropanoate?
The IUPAC name of (2-ethylcyclohexyl) 2-amino-3,3,3-trifluoro-2-methylpropanoate (CID 79797905) is (2-ethylcyclohexyl) 2-amino-3,3,3-trifluoro-2-methylpropanoate.
What is the SMILES notation for (2-ethylcyclohexyl) 2-amino-3,3,3-trifluoro-2-methylpropanoate?
The canonical SMILES for (2-ethylcyclohexyl) 2-amino-3,3,3-trifluoro-2-methylpropanoate is CCC1CCCCC1OC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of (2-ethylcyclohexyl) 2-amino-3,3,3-trifluoro-2-methylpropanoate?
The InChIKey is RRJNQGSKDNVGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-3-8-6-4-5-7-9(8)18-10(17)11(2,16)12(13,14)15/h8-9H,3-7,16H2,1-2H3.
What are the key properties of (2-ethylcyclohexyl) 2-amino-3,3,3-trifluoro-2-methylpropanoate?
(2-ethylcyclohexyl) 2-amino-3,3,3-trifluoro-2-methylpropanoate has a molecular weight of 267.29 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl) 2-amino-3,3,3-trifluoro-2-methylpropanoate is sourced from PubChem (CID 79797905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).