methyl 2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]propanoate

C12H20F3NO3 — CID 66173136

IUPACmethyl 2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]propanoate
SMILESCOC(=O)C(C)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H20F3NO3/c1-8(11(17)18-2)16-9-4-3-5-10(6-9)19-7-12(13,14)15/h8-10,16H,3-7H2,1-2H3
InChIKeyGTTMTCZXBIQOCW-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.03
Rot. Bonds5

About methyl 2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]propanoate

methyl 2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]propanoate (PubChem CID 66173136) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is methyl 2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]propanoate
PubChem CID66173136
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Namemethyl 2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]propanoate
SMILESCOC(=O)C(C)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H20F3NO3/c1-8(11(17)18-2)16-9-4-3-5-10(6-9)19-7-12(13,14)15/h8-10,16H,3-7H2,1-2H3
InChIKeyGTTMTCZXBIQOCW-UHFFFAOYSA-N
XLogP2.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]propanoate with MolForge

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Related Compounds

[3-(Propan-2-ylamino)cyclohexyl] 2,2,2-trifluoroacetate
CID 59304215
[3-(Methylamino)cyclohexyl] 2,2,2-trifluoroacetate
CID 68317400
N-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 62535474
3-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 64091984
N-(1-methoxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 64397454
2-[[3-(2,2,2-Trifluoroethoxy)cyclohexyl]amino]propanoic acid
CID 66172934
3,3,3-Trifluoro-2-[(3-methoxycyclohexyl)amino]-2-methylpropanoic acid
CID 79790955
2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine
CID 82726957
N-[(5-methyloxolan-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 82835949
5-methoxy-4-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentane-1,4-diamine
CID 103388998
N-[2-(2,2-difluoroethoxy)ethyl]-3-methoxycyclohexan-1-amine
CID 108411822
Methyl 2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]butanoate
CID 115353018

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]propanoate?
The IUPAC name of methyl 2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]propanoate (CID 66173136) is methyl 2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]propanoate?
The canonical SMILES for methyl 2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]propanoate is COC(=O)C(C)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of methyl 2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]propanoate?
The InChIKey is GTTMTCZXBIQOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-8(11(17)18-2)16-9-4-3-5-10(6-9)19-7-12(13,14)15/h8-10,16H,3-7H2,1-2H3.
What are the key properties of methyl 2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]propanoate?
methyl 2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]propanoate has a molecular weight of 283.29 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]propanoate is sourced from PubChem (CID 66173136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).