methyl 1-(ethylamino)-3-(trifluoromethyl)cyclohexane-1-carboxylate

C11H18F3NO2 — CID 64757218

IUPACmethyl 1-(ethylamino)-3-(trifluoromethyl)cyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c1-3-15-10(9(16)17-2)6-4-5-8(7-10)11(12,13)14/h8,15H,3-7H2,1-2H3
InChIKeyHORMGHUBDDSBRY-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.26
Rot. Bonds3

About methyl 1-(ethylamino)-3-(trifluoromethyl)cyclohexane-1-carboxylate

methyl 1-(ethylamino)-3-(trifluoromethyl)cyclohexane-1-carboxylate (PubChem CID 64757218) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 1-(ethylamino)-3-(trifluoromethyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(ethylamino)-3-(trifluoromethyl)cyclohexane-1-carboxylate
PubChem CID64757218
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Namemethyl 1-(ethylamino)-3-(trifluoromethyl)cyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c1-3-15-10(9(16)17-2)6-4-5-8(7-10)11(12,13)14/h8,15H,3-7H2,1-2H3
InChIKeyHORMGHUBDDSBRY-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79636589
methyl 3-(azocan-1-yl)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79628664
ethyl 1-[2-(dimethylamino)ethylamino]-3-(trifluoromethyl)cyclohexane-1-carboxylate
CID 64759457
methyl 1-(ethylamino)cyclododecane-1-carboxylate
CID 60788037
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carboxylate
CID 115561475
methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79633977
methyl 1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxylate
CID 79636151
methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
CID 79642233
methyl 1-(ethylamino)-3-(4-fluorophenoxy)cyclohexane-1-carboxylate
CID 79635107
methyl 1-(ethylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79636339
methyl 1-(ethylamino)-3-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79641407
methyl 1-(ethylamino)-3-(3-hydroxypropylsulfanyl)cyclohexane-1-carboxylate
CID 79635796

Frequently Asked Questions

What is the IUPAC name of methyl 1-(ethylamino)-3-(trifluoromethyl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-(ethylamino)-3-(trifluoromethyl)cyclohexane-1-carboxylate (CID 64757218) is methyl 1-(ethylamino)-3-(trifluoromethyl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-(ethylamino)-3-(trifluoromethyl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-(ethylamino)-3-(trifluoromethyl)cyclohexane-1-carboxylate is CCNC1(C(=O)OC)CCCC(C(F)(F)F)C1.
What is the InChIKey of methyl 1-(ethylamino)-3-(trifluoromethyl)cyclohexane-1-carboxylate?
The InChIKey is HORMGHUBDDSBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-3-15-10(9(16)17-2)6-4-5-8(7-10)11(12,13)14/h8,15H,3-7H2,1-2H3.
What are the key properties of methyl 1-(ethylamino)-3-(trifluoromethyl)cyclohexane-1-carboxylate?
methyl 1-(ethylamino)-3-(trifluoromethyl)cyclohexane-1-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(ethylamino)-3-(trifluoromethyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 64757218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).