4-(2,2-difluoro-1-morpholin-4-ylethenyl)-2,6-bis(trifluoromethyl)morpholine

C12H14F8N2O2 — CID 135169451

IUPAC4-(2,2-difluoro-1-morpholin-4-ylethenyl)-2,6-bis(trifluoromethyl)morpholine
SMILESFC(F)=C(N1CCOCC1)N1CC(C(F)(F)F)OC(C(F)(F)F)C1
InChIInChI=1S/C12H14F8N2O2/c13-9(14)10(21-1-3-23-4-2-21)22-5-7(11(15,16)17)24-8(6-22)12(18,19)20/h7-8H,1-6H2
InChIKeyGDQGAUSYWNFPJO-UHFFFAOYSA-N
MW370.24 g/mol
LogP2.58
Rot. Bonds2

About 4-(2,2-difluoro-1-morpholin-4-ylethenyl)-2,6-bis(trifluoromethyl)morpholine

4-(2,2-difluoro-1-morpholin-4-ylethenyl)-2,6-bis(trifluoromethyl)morpholine (PubChem CID 135169451) has the molecular formula C12H14F8N2O2 and a molecular weight of 370.24 g/mol. Its IUPAC name is 4-(2,2-difluoro-1-morpholin-4-ylethenyl)-2,6-bis(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-(2,2-difluoro-1-morpholin-4-ylethenyl)-2,6-bis(trifluoromethyl)morpholine
PubChem CID135169451
Molecular FormulaC12H14F8N2O2
Molecular Weight370.24 g/mol
Exact Mass370.09
IUPAC Name4-(2,2-difluoro-1-morpholin-4-ylethenyl)-2,6-bis(trifluoromethyl)morpholine
SMILESFC(F)=C(N1CCOCC1)N1CC(C(F)(F)F)OC(C(F)(F)F)C1
InChIInChI=1S/C12H14F8N2O2/c13-9(14)10(21-1-3-23-4-2-21)22-5-7(11(15,16)17)24-8(6-22)12(18,19)20/h7-8H,1-6H2
InChIKeyGDQGAUSYWNFPJO-UHFFFAOYSA-N
XLogP2.58
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoro-1-morpholin-4-ylethenyl)-2,6-bis(trifluoromethyl)morpholine?
The IUPAC name of 4-(2,2-difluoro-1-morpholin-4-ylethenyl)-2,6-bis(trifluoromethyl)morpholine (CID 135169451) is 4-(2,2-difluoro-1-morpholin-4-ylethenyl)-2,6-bis(trifluoromethyl)morpholine.
What is the SMILES notation for 4-(2,2-difluoro-1-morpholin-4-ylethenyl)-2,6-bis(trifluoromethyl)morpholine?
The canonical SMILES for 4-(2,2-difluoro-1-morpholin-4-ylethenyl)-2,6-bis(trifluoromethyl)morpholine is FC(F)=C(N1CCOCC1)N1CC(C(F)(F)F)OC(C(F)(F)F)C1.
What is the InChIKey of 4-(2,2-difluoro-1-morpholin-4-ylethenyl)-2,6-bis(trifluoromethyl)morpholine?
The InChIKey is GDQGAUSYWNFPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F8N2O2/c13-9(14)10(21-1-3-23-4-2-21)22-5-7(11(15,16)17)24-8(6-22)12(18,19)20/h7-8H,1-6H2.
What are the key properties of 4-(2,2-difluoro-1-morpholin-4-ylethenyl)-2,6-bis(trifluoromethyl)morpholine?
4-(2,2-difluoro-1-morpholin-4-ylethenyl)-2,6-bis(trifluoromethyl)morpholine has a molecular weight of 370.24 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoro-1-morpholin-4-ylethenyl)-2,6-bis(trifluoromethyl)morpholine is sourced from PubChem (CID 135169451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).