2-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-6-(trifluoromethyl)morpholine

C9H10F7NO — CID 147917425

IUPAC2-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-6-(trifluoromethyl)morpholine
SMILESCC1CN(/C(F)=C/C(F)(F)F)CC(C(F)(F)F)O1
InChIInChI=1S/C9H10F7NO/c1-5-3-17(7(10)2-8(11,12)13)4-6(18-5)9(14,15)16/h2,5-6H,3-4H2,1H3/b7-2+
InChIKeyIHIIRJFZKVHKKD-FARCUNLSSA-N
MW281.17 g/mol
LogP3.01
Rot. Bonds1

About 2-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-6-(trifluoromethyl)morpholine

2-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-6-(trifluoromethyl)morpholine (PubChem CID 147917425) has the molecular formula C9H10F7NO and a molecular weight of 281.17 g/mol. Its IUPAC name is 2-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-6-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name2-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-6-(trifluoromethyl)morpholine
PubChem CID147917425
Molecular FormulaC9H10F7NO
Molecular Weight281.17 g/mol
Exact Mass281.07
IUPAC Name2-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-6-(trifluoromethyl)morpholine
SMILESCC1CN(/C(F)=C/C(F)(F)F)CC(C(F)(F)F)O1
InChIInChI=1S/C9H10F7NO/c1-5-3-17(7(10)2-8(11,12)13)4-6(18-5)9(14,15)16/h2,5-6H,3-4H2,1H3/b7-2+
InChIKeyIHIIRJFZKVHKKD-FARCUNLSSA-N
XLogP3.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.17
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-6-(trifluoromethyl)morpholine?
The IUPAC name of 2-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-6-(trifluoromethyl)morpholine (CID 147917425) is 2-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-6-(trifluoromethyl)morpholine.
What is the SMILES notation for 2-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-6-(trifluoromethyl)morpholine?
The canonical SMILES for 2-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-6-(trifluoromethyl)morpholine is CC1CN(/C(F)=C/C(F)(F)F)CC(C(F)(F)F)O1.
What is the InChIKey of 2-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-6-(trifluoromethyl)morpholine?
The InChIKey is IHIIRJFZKVHKKD-FARCUNLSSA-N. The full InChI is InChI=1S/C9H10F7NO/c1-5-3-17(7(10)2-8(11,12)13)4-6(18-5)9(14,15)16/h2,5-6H,3-4H2,1H3/b7-2+.
What are the key properties of 2-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-6-(trifluoromethyl)morpholine?
2-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-6-(trifluoromethyl)morpholine has a molecular weight of 281.17 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-6-(trifluoromethyl)morpholine is sourced from PubChem (CID 147917425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).