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

C10H8F11NO — CID 129207503

IUPAC4-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine
SMILESC=C(C(F)(F)F)C(F)(F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1
InChIInChI=1S/C10H8F11NO/c1-4(7(11,12)13)10(20,21)22-2-5(8(14,15)16)23-6(3-22)9(17,18)19/h5-6H,1-3H2
InChIKeyWZOVFUIVPHZYSU-UHFFFAOYSA-N
MW367.16 g/mol
LogP3.89
Rot. Bonds2

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

4-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine (PubChem CID 129207503) has the molecular formula C10H8F11NO and a molecular weight of 367.16 g/mol. Its IUPAC name is 4-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine
PubChem CID129207503
Molecular FormulaC10H8F11NO
Molecular Weight367.16 g/mol
Exact Mass367.04
IUPAC Name4-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine
SMILESC=C(C(F)(F)F)C(F)(F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1
InChIInChI=1S/C10H8F11NO/c1-4(7(11,12)13)10(20,21)22-2-5(8(14,15)16)23-6(3-22)9(17,18)19/h5-6H,1-3H2
InChIKeyWZOVFUIVPHZYSU-UHFFFAOYSA-N
XLogP3.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.16
LogP ≤ 53.89
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-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine?
The IUPAC name of 4-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine (CID 129207503) is 4-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine.
What is the SMILES notation for 4-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine?
The canonical SMILES for 4-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine is C=C(C(F)(F)F)C(F)(F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1.
What is the InChIKey of 4-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine?
The InChIKey is WZOVFUIVPHZYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F11NO/c1-4(7(11,12)13)10(20,21)22-2-5(8(14,15)16)23-6(3-22)9(17,18)19/h5-6H,1-3H2.
What are the key properties of 4-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine?
4-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine has a molecular weight of 367.16 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine is sourced from PubChem (CID 129207503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).