methyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate

C14H18FNO3 — CID 79648683

IUPACmethyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCC(Oc2ccccc2F)C1
InChIInChI=1S/C14H18FNO3/c1-16-14(13(17)18-2)8-7-10(9-14)19-12-6-4-3-5-11(12)15/h3-6,10,16H,7-9H2,1-2H3
InChIKeyJJTLCVQRHNAJTB-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.89
Rot. Bonds4

About methyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate

methyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate (PubChem CID 79648683) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is methyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate
PubChem CID79648683
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Namemethyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCC(Oc2ccccc2F)C1
InChIInChI=1S/C14H18FNO3/c1-16-14(13(17)18-2)8-7-10(9-14)19-12-6-4-3-5-11(12)15/h3-6,10,16H,7-9H2,1-2H3
InChIKeyJJTLCVQRHNAJTB-UHFFFAOYSA-N
XLogP1.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate (CID 79648683) is methyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate is CNC1(C(=O)OC)CCC(Oc2ccccc2F)C1.
What is the InChIKey of methyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate?
The InChIKey is JJTLCVQRHNAJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-16-14(13(17)18-2)8-7-10(9-14)19-12-6-4-3-5-11(12)15/h3-6,10,16H,7-9H2,1-2H3.
What are the key properties of methyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate?
methyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate has a molecular weight of 267.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79648683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).