methyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate

C10H16F3NO3 — CID 79648831

IUPACmethyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCC(OCC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO3/c1-14-9(8(15)16-2)4-3-7(5-9)17-6-10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyPXWZEQWEHKSFOS-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.25
Rot. Bonds4

About methyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate

methyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate (PubChem CID 79648831) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is methyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate
PubChem CID79648831
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Namemethyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCC(OCC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO3/c1-14-9(8(15)16-2)4-3-7(5-9)17-6-10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyPXWZEQWEHKSFOS-UHFFFAOYSA-N
XLogP1.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate (CID 79648831) is methyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate is CNC1(C(=O)OC)CCC(OCC(F)(F)F)C1.
What is the InChIKey of methyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate?
The InChIKey is PXWZEQWEHKSFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-14-9(8(15)16-2)4-3-7(5-9)17-6-10(11,12)13/h7,14H,3-6H2,1-2H3.
What are the key properties of methyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate?
methyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate has a molecular weight of 255.24 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate is sourced from PubChem (CID 79648831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).