4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine;ethane

C27H50F4N2O3 — CID 176927017

IUPAC4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine;ethane
SMILESCC.CC(C)OCC1(CN2CCC(F)(F)CC2)CC1.CC(C)OCC1(CN2CCOCC2)CC1(F)F
InChIInChI=1S/C13H23F2NO.C12H21F2NO2.C2H6/c1-11(2)17-10-12(3-4-12)9-16-7-5-13(14,15)6-8-16;1-10(2)17-9-11(7-12(11,13)14)8-15-3-5-16-6-4-15;1-2/h11H,3-10H2,1-2H3;10H,3-9H2,1-2H3;1-2H3
InChIKeyHFGGMMRUWOCHFV-UHFFFAOYSA-N
MW526.70 g/mol
LogP5.72
Rot. Bonds10

About 4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine;ethane

4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine;ethane (PubChem CID 176927017) has the molecular formula C27H50F4N2O3 and a molecular weight of 526.70 g/mol. Its IUPAC name is 4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine;ethane.

Molecular Properties

Compound Name4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine;ethane
PubChem CID176927017
Molecular FormulaC27H50F4N2O3
Molecular Weight526.70 g/mol
Exact Mass526.38
IUPAC Name4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine;ethane
SMILESCC.CC(C)OCC1(CN2CCC(F)(F)CC2)CC1.CC(C)OCC1(CN2CCOCC2)CC1(F)F
InChIInChI=1S/C13H23F2NO.C12H21F2NO2.C2H6/c1-11(2)17-10-12(3-4-12)9-16-7-5-13(14,15)6-8-16;1-10(2)17-9-11(7-12(11,13)14)8-15-3-5-16-6-4-15;1-2/h11H,3-10H2,1-2H3;10H,3-9H2,1-2H3;1-2H3
InChIKeyHFGGMMRUWOCHFV-UHFFFAOYSA-N
XLogP5.72
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.70
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine;ethane?
The IUPAC name of 4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine;ethane (CID 176927017) is 4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine;ethane.
What is the SMILES notation for 4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine;ethane?
The canonical SMILES for 4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine;ethane is CC.CC(C)OCC1(CN2CCC(F)(F)CC2)CC1.CC(C)OCC1(CN2CCOCC2)CC1(F)F.
What is the InChIKey of 4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine;ethane?
The InChIKey is HFGGMMRUWOCHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO.C12H21F2NO2.C2H6/c1-11(2)17-10-12(3-4-12)9-16-7-5-13(14,15)6-8-16;1-10(2)17-9-11(7-12(11,13)14)8-15-3-5-16-6-4-15;1-2/h11H,3-10H2,1-2H3;10H,3-9H2,1-2H3;1-2H3.
What are the key properties of 4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine;ethane?
4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine;ethane has a molecular weight of 526.70 g/mol, XLogP of 5.72, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;4,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine;ethane is sourced from PubChem (CID 176927017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).