4-[8-(2,2-difluoropropoxy)octyl]morpholine

C15H29F2NO2 — CID 58341579

IUPAC4-[8-(2,2-difluoropropoxy)octyl]morpholine
SMILESCC(F)(F)COCCCCCCCCN1CCOCC1
InChIInChI=1S/C15H29F2NO2/c1-15(16,17)14-20-11-7-5-3-2-4-6-8-18-9-12-19-13-10-18/h2-14H2,1H3
InChIKeyBXBRVLGSOPIBDW-UHFFFAOYSA-N
MW293.40 g/mol
LogP3.33
Rot. Bonds11

About 4-[8-(2,2-difluoropropoxy)octyl]morpholine

4-[8-(2,2-difluoropropoxy)octyl]morpholine (PubChem CID 58341579) has the molecular formula C15H29F2NO2 and a molecular weight of 293.40 g/mol. Its IUPAC name is 4-[8-(2,2-difluoropropoxy)octyl]morpholine.

Molecular Properties

Compound Name4-[8-(2,2-difluoropropoxy)octyl]morpholine
PubChem CID58341579
Molecular FormulaC15H29F2NO2
Molecular Weight293.40 g/mol
Exact Mass293.22
IUPAC Name4-[8-(2,2-difluoropropoxy)octyl]morpholine
SMILESCC(F)(F)COCCCCCCCCN1CCOCC1
InChIInChI=1S/C15H29F2NO2/c1-15(16,17)14-20-11-7-5-3-2-4-6-8-18-9-12-19-13-10-18/h2-14H2,1H3
InChIKeyBXBRVLGSOPIBDW-UHFFFAOYSA-N
XLogP3.33
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-Morpholin-4-yloctyl 2,2-difluoropropanoate
CID 58341551
1-[8-(2,2-Difluoropropoxy)octyl]piperidine
CID 58341552
1-[12-(2,2-Difluoropropoxy)dodecyl]piperidine
CID 58341553
4-[6-(2,2-Difluoropropoxy)hexyl]morpholine
CID 58341567
4-[12-(2,2-Difluoropropoxy)dodecyl]morpholine
CID 58341574
12-Morpholin-4-yldodecyl 2,2-difluoropropanoate
CID 58341584
4,4,6,6,7,7,8,8,9,9,9-Undecafluoro-1-morpholin-4-ylnonan-2-ol
CID 58855406
(4,4,6,6,7,7,8,8,9,9,9-Undecafluoro-1-morpholin-4-ylnonan-2-yl) acetate
CID 58855412
4,4,6,6,7,7,8,8,9,9,10,10,11,11,11-Pentadecafluoro-1-morpholin-4-ylundecan-2-ol
CID 58855426
4,4,7,7,9,9,9-Heptafluoro-1-morpholin-4-ylnonan-2-ol
CID 89623752
4,4,7,7,9,9,10,10,11,11,11-Undecafluoro-1-morpholin-4-ylundecan-2-ol
CID 89623754
(4,4,7,7,9,9,9-Heptafluoro-1-morpholin-4-ylnonan-2-yl) acetate
CID 89623755

Frequently Asked Questions

What is the IUPAC name of 4-[8-(2,2-difluoropropoxy)octyl]morpholine?
The IUPAC name of 4-[8-(2,2-difluoropropoxy)octyl]morpholine (CID 58341579) is 4-[8-(2,2-difluoropropoxy)octyl]morpholine.
What is the SMILES notation for 4-[8-(2,2-difluoropropoxy)octyl]morpholine?
The canonical SMILES for 4-[8-(2,2-difluoropropoxy)octyl]morpholine is CC(F)(F)COCCCCCCCCN1CCOCC1.
What is the InChIKey of 4-[8-(2,2-difluoropropoxy)octyl]morpholine?
The InChIKey is BXBRVLGSOPIBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F2NO2/c1-15(16,17)14-20-11-7-5-3-2-4-6-8-18-9-12-19-13-10-18/h2-14H2,1H3.
What are the key properties of 4-[8-(2,2-difluoropropoxy)octyl]morpholine?
4-[8-(2,2-difluoropropoxy)octyl]morpholine has a molecular weight of 293.40 g/mol, XLogP of 3.33, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(2,2-difluoropropoxy)octyl]morpholine is sourced from PubChem (CID 58341579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).