methyl 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate

C12H20F3NO3 — CID 79648598

IUPACmethyl 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(C)C)CCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H20F3NO3/c1-8(2)16-11(10(17)18-3)5-4-9(6-11)19-7-12(13,14)15/h8-9,16H,4-7H2,1-3H3
InChIKeyBZFZMYZRIXJIOY-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.03
Rot. Bonds5

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

methyl 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate (PubChem CID 79648598) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is methyl 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate
PubChem CID79648598
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Namemethyl 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(C)C)CCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H20F3NO3/c1-8(2)16-11(10(17)18-3)5-4-9(6-11)19-7-12(13,14)15/h8-9,16H,4-7H2,1-3H3
InChIKeyBZFZMYZRIXJIOY-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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate (CID 79648598) is methyl 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate is COC(=O)C1(NC(C)C)CCC(OCC(F)(F)F)C1.
What is the InChIKey of methyl 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate?
The InChIKey is BZFZMYZRIXJIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-8(2)16-11(10(17)18-3)5-4-9(6-11)19-7-12(13,14)15/h8-9,16H,4-7H2,1-3H3.
What are the key properties of methyl 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate?
methyl 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate 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 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate is sourced from PubChem (CID 79648598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).