2,6-dimethyl-4-(1,1,2,2,3-pentafluoropropyl)morpholine;fluoromethane

C10H17F6NO — CID 54007115

IUPAC2,6-dimethyl-4-(1,1,2,2,3-pentafluoropropyl)morpholine;fluoromethane
SMILESCC1CN(C(F)(F)C(F)(F)CF)CC(C)O1.CF
InChIInChI=1S/C9H14F5NO.CH3F/c1-6-3-15(4-7(2)16-6)9(13,14)8(11,12)5-10;1-2/h6-7H,3-5H2,1-2H3;1H3
InChIKeyKPRGCFVGUOKEOZ-UHFFFAOYSA-N
MW281.24 g/mol
LogP2.88
Rot. Bonds3

About 2,6-dimethyl-4-(1,1,2,2,3-pentafluoropropyl)morpholine;fluoromethane

2,6-dimethyl-4-(1,1,2,2,3-pentafluoropropyl)morpholine;fluoromethane (PubChem CID 54007115) has the molecular formula C10H17F6NO and a molecular weight of 281.24 g/mol. Its IUPAC name is 2,6-dimethyl-4-(1,1,2,2,3-pentafluoropropyl)morpholine;fluoromethane.

Molecular Properties

Compound Name2,6-dimethyl-4-(1,1,2,2,3-pentafluoropropyl)morpholine;fluoromethane
PubChem CID54007115
Molecular FormulaC10H17F6NO
Molecular Weight281.24 g/mol
Exact Mass281.12
IUPAC Name2,6-dimethyl-4-(1,1,2,2,3-pentafluoropropyl)morpholine;fluoromethane
SMILESCC1CN(C(F)(F)C(F)(F)CF)CC(C)O1.CF
InChIInChI=1S/C9H14F5NO.CH3F/c1-6-3-15(4-7(2)16-6)9(13,14)8(11,12)5-10;1-2/h6-7H,3-5H2,1-2H3;1H3
InChIKeyKPRGCFVGUOKEOZ-UHFFFAOYSA-N
XLogP2.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,6-dimethyl-4-(1,1,2,2,3-pentafluoropropyl)morpholine;fluoromethane?
The IUPAC name of 2,6-dimethyl-4-(1,1,2,2,3-pentafluoropropyl)morpholine;fluoromethane (CID 54007115) is 2,6-dimethyl-4-(1,1,2,2,3-pentafluoropropyl)morpholine;fluoromethane.
What is the SMILES notation for 2,6-dimethyl-4-(1,1,2,2,3-pentafluoropropyl)morpholine;fluoromethane?
The canonical SMILES for 2,6-dimethyl-4-(1,1,2,2,3-pentafluoropropyl)morpholine;fluoromethane is CC1CN(C(F)(F)C(F)(F)CF)CC(C)O1.CF.
What is the InChIKey of 2,6-dimethyl-4-(1,1,2,2,3-pentafluoropropyl)morpholine;fluoromethane?
The InChIKey is KPRGCFVGUOKEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F5NO.CH3F/c1-6-3-15(4-7(2)16-6)9(13,14)8(11,12)5-10;1-2/h6-7H,3-5H2,1-2H3;1H3.
What are the key properties of 2,6-dimethyl-4-(1,1,2,2,3-pentafluoropropyl)morpholine;fluoromethane?
2,6-dimethyl-4-(1,1,2,2,3-pentafluoropropyl)morpholine;fluoromethane has a molecular weight of 281.24 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(1,1,2,2,3-pentafluoropropyl)morpholine;fluoromethane is sourced from PubChem (CID 54007115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).