methyl 2-[1-(ethylamino)-4-(trifluoromethyl)cyclohexyl]acetate

C12H20F3NO2 — CID 65235021

IUPACmethyl 2-[1-(ethylamino)-4-(trifluoromethyl)cyclohexyl]acetate
SMILESCCNC1(CC(=O)OC)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO2/c1-3-16-11(8-10(17)18-2)6-4-9(5-7-11)12(13,14)15/h9,16H,3-8H2,1-2H3
InChIKeyVGUAMIHHHLAANS-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.65
Rot. Bonds4

About methyl 2-[1-(ethylamino)-4-(trifluoromethyl)cyclohexyl]acetate

methyl 2-[1-(ethylamino)-4-(trifluoromethyl)cyclohexyl]acetate (PubChem CID 65235021) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is methyl 2-[1-(ethylamino)-4-(trifluoromethyl)cyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(ethylamino)-4-(trifluoromethyl)cyclohexyl]acetate
PubChem CID65235021
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Namemethyl 2-[1-(ethylamino)-4-(trifluoromethyl)cyclohexyl]acetate
SMILESCCNC1(CC(=O)OC)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO2/c1-3-16-11(8-10(17)18-2)6-4-9(5-7-11)12(13,14)15/h9,16H,3-8H2,1-2H3
InChIKeyVGUAMIHHHLAANS-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(ethylamino)-4-(trifluoromethyl)cyclohexyl]acetate?
The IUPAC name of methyl 2-[1-(ethylamino)-4-(trifluoromethyl)cyclohexyl]acetate (CID 65235021) is methyl 2-[1-(ethylamino)-4-(trifluoromethyl)cyclohexyl]acetate.
What is the SMILES notation for methyl 2-[1-(ethylamino)-4-(trifluoromethyl)cyclohexyl]acetate?
The canonical SMILES for methyl 2-[1-(ethylamino)-4-(trifluoromethyl)cyclohexyl]acetate is CCNC1(CC(=O)OC)CCC(C(F)(F)F)CC1.
What is the InChIKey of methyl 2-[1-(ethylamino)-4-(trifluoromethyl)cyclohexyl]acetate?
The InChIKey is VGUAMIHHHLAANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-3-16-11(8-10(17)18-2)6-4-9(5-7-11)12(13,14)15/h9,16H,3-8H2,1-2H3.
What are the key properties of methyl 2-[1-(ethylamino)-4-(trifluoromethyl)cyclohexyl]acetate?
methyl 2-[1-(ethylamino)-4-(trifluoromethyl)cyclohexyl]acetate has a molecular weight of 267.29 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(ethylamino)-4-(trifluoromethyl)cyclohexyl]acetate is sourced from PubChem (CID 65235021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).