4-(1,1,1,2,3,3,4,4-octafluoro-4-methoxybutan-2-yl)morpholine

C9H11F8NO2 — CID 18725576

IUPAC4-(1,1,1,2,3,3,4,4-octafluoro-4-methoxybutan-2-yl)morpholine
SMILESCOC(F)(F)C(F)(F)C(F)(N1CCOCC1)C(F)(F)F
InChIInChI=1S/C9H11F8NO2/c1-19-9(16,17)6(10,11)7(12,8(13,14)15)18-2-4-20-5-3-18/h2-5H2,1H3
InChIKeySBRQKNYAZCQBQL-UHFFFAOYSA-N
MW317.18 g/mol
LogP2.42
Rot. Bonds4

About 4-(1,1,1,2,3,3,4,4-octafluoro-4-methoxybutan-2-yl)morpholine

4-(1,1,1,2,3,3,4,4-octafluoro-4-methoxybutan-2-yl)morpholine (PubChem CID 18725576) has the molecular formula C9H11F8NO2 and a molecular weight of 317.18 g/mol. Its IUPAC name is 4-(1,1,1,2,3,3,4,4-octafluoro-4-methoxybutan-2-yl)morpholine.

Molecular Properties

Compound Name4-(1,1,1,2,3,3,4,4-octafluoro-4-methoxybutan-2-yl)morpholine
PubChem CID18725576
Molecular FormulaC9H11F8NO2
Molecular Weight317.18 g/mol
Exact Mass317.07
IUPAC Name4-(1,1,1,2,3,3,4,4-octafluoro-4-methoxybutan-2-yl)morpholine
SMILESCOC(F)(F)C(F)(F)C(F)(N1CCOCC1)C(F)(F)F
InChIInChI=1S/C9H11F8NO2/c1-19-9(16,17)6(10,11)7(12,8(13,14)15)18-2-4-20-5-3-18/h2-5H2,1H3
InChIKeySBRQKNYAZCQBQL-UHFFFAOYSA-N
XLogP2.42
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,2,3,3,4,4-octafluoro-4-methoxybutan-2-yl)morpholine?
The IUPAC name of 4-(1,1,1,2,3,3,4,4-octafluoro-4-methoxybutan-2-yl)morpholine (CID 18725576) is 4-(1,1,1,2,3,3,4,4-octafluoro-4-methoxybutan-2-yl)morpholine.
What is the SMILES notation for 4-(1,1,1,2,3,3,4,4-octafluoro-4-methoxybutan-2-yl)morpholine?
The canonical SMILES for 4-(1,1,1,2,3,3,4,4-octafluoro-4-methoxybutan-2-yl)morpholine is COC(F)(F)C(F)(F)C(F)(N1CCOCC1)C(F)(F)F.
What is the InChIKey of 4-(1,1,1,2,3,3,4,4-octafluoro-4-methoxybutan-2-yl)morpholine?
The InChIKey is SBRQKNYAZCQBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F8NO2/c1-19-9(16,17)6(10,11)7(12,8(13,14)15)18-2-4-20-5-3-18/h2-5H2,1H3.
What are the key properties of 4-(1,1,1,2,3,3,4,4-octafluoro-4-methoxybutan-2-yl)morpholine?
4-(1,1,1,2,3,3,4,4-octafluoro-4-methoxybutan-2-yl)morpholine has a molecular weight of 317.18 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,2,3,3,4,4-octafluoro-4-methoxybutan-2-yl)morpholine is sourced from PubChem (CID 18725576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).