4-(1,2-difluoroprop-2-enyl)-2,6-bis(trifluoromethyl)morpholine

C9H9F8NO — CID 129207805

IUPAC4-(1,2-difluoroprop-2-enyl)-2,6-bis(trifluoromethyl)morpholine
SMILESC=C(F)C(F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1
InChIInChI=1S/C9H9F8NO/c1-4(10)7(11)18-2-5(8(12,13)14)19-6(3-18)9(15,16)17/h5-7H,1-3H2
InChIKeyTXKAZEPMWWMVMP-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.96
Rot. Bonds2

About 4-(1,2-difluoroprop-2-enyl)-2,6-bis(trifluoromethyl)morpholine

4-(1,2-difluoroprop-2-enyl)-2,6-bis(trifluoromethyl)morpholine (PubChem CID 129207805) has the molecular formula C9H9F8NO and a molecular weight of 299.16 g/mol. Its IUPAC name is 4-(1,2-difluoroprop-2-enyl)-2,6-bis(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-(1,2-difluoroprop-2-enyl)-2,6-bis(trifluoromethyl)morpholine
PubChem CID129207805
Molecular FormulaC9H9F8NO
Molecular Weight299.16 g/mol
Exact Mass299.06
IUPAC Name4-(1,2-difluoroprop-2-enyl)-2,6-bis(trifluoromethyl)morpholine
SMILESC=C(F)C(F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1
InChIInChI=1S/C9H9F8NO/c1-4(10)7(11)18-2-5(8(12,13)14)19-6(3-18)9(15,16)17/h5-7H,1-3H2
InChIKeyTXKAZEPMWWMVMP-UHFFFAOYSA-N
XLogP2.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.96
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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Related Compounds

4-(1,1,2,3,3-Pentafluoroprop-2-enyl)morpholine
CID 67894322
4-[(Z)-2,3-difluoroprop-1-enyl]-2,6-dimethylmorpholine
CID 89073905
4-(1,1,3,3,3-Pentafluoroprop-1-en-2-yl)-2,6-bis(trifluoromethyl)morpholine
CID 118673884
4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine
CID 118673890
4-(1,2,2-Trifluoroethenyl)-2,6-bis(trifluoromethyl)morpholine
CID 121241189
4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine
CID 124113901
4-(1,2,2-Trifluorobut-3-enyl)-2,6-bis(trifluoromethyl)morpholine
CID 124118181
2,6-Bis(trifluoromethyl)-4-(1,2,2-trifluoro-3-methylbut-3-enyl)morpholine
CID 124118184
4-[1,2-Difluoro-2-(trifluoromethyl)but-3-enyl]-2,6-bis(trifluoromethyl)morpholine
CID 124118190
4-[1,1-Difluoro-2-(trifluoromethyl)prop-2-enyl]morpholine
CID 129207491
4-(1,1,1,2,3-Pentafluorobut-3-en-2-yl)morpholine
CID 129207496
4-(1,1,1,2,3-Pentafluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine
CID 129207497

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-difluoroprop-2-enyl)-2,6-bis(trifluoromethyl)morpholine?
The IUPAC name of 4-(1,2-difluoroprop-2-enyl)-2,6-bis(trifluoromethyl)morpholine (CID 129207805) is 4-(1,2-difluoroprop-2-enyl)-2,6-bis(trifluoromethyl)morpholine.
What is the SMILES notation for 4-(1,2-difluoroprop-2-enyl)-2,6-bis(trifluoromethyl)morpholine?
The canonical SMILES for 4-(1,2-difluoroprop-2-enyl)-2,6-bis(trifluoromethyl)morpholine is C=C(F)C(F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1.
What is the InChIKey of 4-(1,2-difluoroprop-2-enyl)-2,6-bis(trifluoromethyl)morpholine?
The InChIKey is TXKAZEPMWWMVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F8NO/c1-4(10)7(11)18-2-5(8(12,13)14)19-6(3-18)9(15,16)17/h5-7H,1-3H2.
What are the key properties of 4-(1,2-difluoroprop-2-enyl)-2,6-bis(trifluoromethyl)morpholine?
4-(1,2-difluoroprop-2-enyl)-2,6-bis(trifluoromethyl)morpholine has a molecular weight of 299.16 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-difluoroprop-2-enyl)-2,6-bis(trifluoromethyl)morpholine is sourced from PubChem (CID 129207805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).