3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-ylbutan-1-one

C15H25F2NO3 — CID 164603965

IUPAC3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-ylbutan-1-one
SMILESCC(CC(=O)N1CCOCC1)OCC1CCC(F)(F)CC1
InChIInChI=1S/C15H25F2NO3/c1-12(10-14(19)18-6-8-20-9-7-18)21-11-13-2-4-15(16,17)5-3-13/h12-13H,2-11H2,1H3
InChIKeyOBAQCIDGHLNSSK-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.47
Rot. Bonds5

About 3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-ylbutan-1-one

3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-ylbutan-1-one (PubChem CID 164603965) has the molecular formula C15H25F2NO3 and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-ylbutan-1-one
PubChem CID164603965
Molecular FormulaC15H25F2NO3
Molecular Weight305.37 g/mol
Exact Mass305.18
IUPAC Name3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-ylbutan-1-one
SMILESCC(CC(=O)N1CCOCC1)OCC1CCC(F)(F)CC1
InChIInChI=1S/C15H25F2NO3/c1-12(10-14(19)18-6-8-20-9-7-18)21-11-13-2-4-15(16,17)5-3-13/h12-13H,2-11H2,1H3
InChIKeyOBAQCIDGHLNSSK-UHFFFAOYSA-N
XLogP2.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-ylbutan-1-one (CID 164603965) is 3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-ylbutan-1-one is CC(CC(=O)N1CCOCC1)OCC1CCC(F)(F)CC1.
What is the InChIKey of 3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-ylbutan-1-one?
The InChIKey is OBAQCIDGHLNSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2NO3/c1-12(10-14(19)18-6-8-20-9-7-18)21-11-13-2-4-15(16,17)5-3-13/h12-13H,2-11H2,1H3.
What are the key properties of 3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-ylbutan-1-one?
3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-ylbutan-1-one has a molecular weight of 305.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 164603965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).