[3-(2,2-difluoroethoxy)-1-(propylamino)cyclohexyl]methanol

C12H23F2NO2 — CID 82009201

IUPAC[3-(2,2-difluoroethoxy)-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(OCC(F)F)C1
InChIInChI=1S/C12H23F2NO2/c1-2-6-15-12(9-16)5-3-4-10(7-12)17-8-11(13)14/h10-11,15-16H,2-9H2,1H3
InChIKeyPITKDXBWFGGOEG-UHFFFAOYSA-N
MW251.32 g/mol
LogP1.94
Rot. Bonds7

About [3-(2,2-difluoroethoxy)-1-(propylamino)cyclohexyl]methanol

[3-(2,2-difluoroethoxy)-1-(propylamino)cyclohexyl]methanol (PubChem CID 82009201) has the molecular formula C12H23F2NO2 and a molecular weight of 251.32 g/mol. Its IUPAC name is [3-(2,2-difluoroethoxy)-1-(propylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(2,2-difluoroethoxy)-1-(propylamino)cyclohexyl]methanol
PubChem CID82009201
Molecular FormulaC12H23F2NO2
Molecular Weight251.32 g/mol
Exact Mass251.17
IUPAC Name[3-(2,2-difluoroethoxy)-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(OCC(F)F)C1
InChIInChI=1S/C12H23F2NO2/c1-2-6-15-12(9-16)5-3-4-10(7-12)17-8-11(13)14/h10-11,15-16H,2-9H2,1H3
InChIKeyPITKDXBWFGGOEG-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoroethoxy)-1-(propylamino)cyclohexyl]methanol?
The IUPAC name of [3-(2,2-difluoroethoxy)-1-(propylamino)cyclohexyl]methanol (CID 82009201) is [3-(2,2-difluoroethoxy)-1-(propylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-(2,2-difluoroethoxy)-1-(propylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(2,2-difluoroethoxy)-1-(propylamino)cyclohexyl]methanol is CCCNC1(CO)CCCC(OCC(F)F)C1.
What is the InChIKey of [3-(2,2-difluoroethoxy)-1-(propylamino)cyclohexyl]methanol?
The InChIKey is PITKDXBWFGGOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO2/c1-2-6-15-12(9-16)5-3-4-10(7-12)17-8-11(13)14/h10-11,15-16H,2-9H2,1H3.
What are the key properties of [3-(2,2-difluoroethoxy)-1-(propylamino)cyclohexyl]methanol?
[3-(2,2-difluoroethoxy)-1-(propylamino)cyclohexyl]methanol has a molecular weight of 251.32 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoroethoxy)-1-(propylamino)cyclohexyl]methanol is sourced from PubChem (CID 82009201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).