methyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate

C10H16F3NO2 — CID 65045401

IUPACmethyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NCC(F)(F)F)CCCC1C
InChIInChI=1S/C10H16F3NO2/c1-7-4-3-5-9(7,8(15)16-2)14-6-10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyWFPPIFWZAWONOI-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.87
Rot. Bonds3

About methyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate

methyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate (PubChem CID 65045401) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is methyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate
PubChem CID65045401
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Namemethyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NCC(F)(F)F)CCCC1C
InChIInChI=1S/C10H16F3NO2/c1-7-4-3-5-9(7,8(15)16-2)14-6-10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyWFPPIFWZAWONOI-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate (CID 65045401) is methyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate is COC(=O)C1(NCC(F)(F)F)CCCC1C.
What is the InChIKey of methyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate?
The InChIKey is WFPPIFWZAWONOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-7-4-3-5-9(7,8(15)16-2)14-6-10(11,12)13/h7,14H,3-6H2,1-2H3.
What are the key properties of methyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate?
methyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate has a molecular weight of 239.24 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 65045401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).