4-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine

C10H9F10NO — CID 129207801

IUPAC4-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine
SMILESC=C(C(F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C10H9F10NO/c1-4(8(12,13)14)7(11)21-2-5(9(15,16)17)22-6(3-21)10(18,19)20/h5-7H,1-3H2
InChIKeyDPTUQLVAAFZOQR-UHFFFAOYSA-N
MW349.17 g/mol
LogP3.59
Rot. Bonds2

About 4-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine

4-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine (PubChem CID 129207801) has the molecular formula C10H9F10NO and a molecular weight of 349.17 g/mol. Its IUPAC name is 4-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine
PubChem CID129207801
Molecular FormulaC10H9F10NO
Molecular Weight349.17 g/mol
Exact Mass349.05
IUPAC Name4-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine
SMILESC=C(C(F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C10H9F10NO/c1-4(8(12,13)14)7(11)21-2-5(9(15,16)17)22-6(3-21)10(18,19)20/h5-7H,1-3H2
InChIKeyDPTUQLVAAFZOQR-UHFFFAOYSA-N
XLogP3.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine?
The IUPAC name of 4-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine (CID 129207801) is 4-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine.
What is the SMILES notation for 4-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine?
The canonical SMILES for 4-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine is C=C(C(F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1)C(F)(F)F.
What is the InChIKey of 4-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine?
The InChIKey is DPTUQLVAAFZOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F10NO/c1-4(8(12,13)14)7(11)21-2-5(9(15,16)17)22-6(3-21)10(18,19)20/h5-7H,1-3H2.
What are the key properties of 4-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine?
4-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine has a molecular weight of 349.17 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine is sourced from PubChem (CID 129207801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).