[3-(3,5-difluorophenoxy)-1-(methylamino)cyclopentyl]methanol

C13H17F2NO2 — CID 79647984

IUPAC[3-(3,5-difluorophenoxy)-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCC(Oc2cc(F)cc(F)c2)C1
InChIInChI=1S/C13H17F2NO2/c1-16-13(8-17)3-2-11(7-13)18-12-5-9(14)4-10(15)6-12/h4-6,11,16-17H,2-3,7-8H2,1H3
InChIKeyYPUPAEPTEXBALR-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.85
Rot. Bonds4

About [3-(3,5-difluorophenoxy)-1-(methylamino)cyclopentyl]methanol

[3-(3,5-difluorophenoxy)-1-(methylamino)cyclopentyl]methanol (PubChem CID 79647984) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is [3-(3,5-difluorophenoxy)-1-(methylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(3,5-difluorophenoxy)-1-(methylamino)cyclopentyl]methanol
PubChem CID79647984
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name[3-(3,5-difluorophenoxy)-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCC(Oc2cc(F)cc(F)c2)C1
InChIInChI=1S/C13H17F2NO2/c1-16-13(8-17)3-2-11(7-13)18-12-5-9(14)4-10(15)6-12/h4-6,11,16-17H,2-3,7-8H2,1H3
InChIKeyYPUPAEPTEXBALR-UHFFFAOYSA-N
XLogP1.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3,5-difluorophenoxy)-1-(methylamino)cyclopentyl]methanol?
The IUPAC name of [3-(3,5-difluorophenoxy)-1-(methylamino)cyclopentyl]methanol (CID 79647984) is [3-(3,5-difluorophenoxy)-1-(methylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(3,5-difluorophenoxy)-1-(methylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(3,5-difluorophenoxy)-1-(methylamino)cyclopentyl]methanol is CNC1(CO)CCC(Oc2cc(F)cc(F)c2)C1.
What is the InChIKey of [3-(3,5-difluorophenoxy)-1-(methylamino)cyclopentyl]methanol?
The InChIKey is YPUPAEPTEXBALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-16-13(8-17)3-2-11(7-13)18-12-5-9(14)4-10(15)6-12/h4-6,11,16-17H,2-3,7-8H2,1H3.
What are the key properties of [3-(3,5-difluorophenoxy)-1-(methylamino)cyclopentyl]methanol?
[3-(3,5-difluorophenoxy)-1-(methylamino)cyclopentyl]methanol has a molecular weight of 257.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-difluorophenoxy)-1-(methylamino)cyclopentyl]methanol is sourced from PubChem (CID 79647984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).