1-[2-[difluoro(3,3,3-trifluoroprop-1-en-2-yloxy)methyl]-1,1,2,3,3,3-hexafluoropropyl]pyrrolidine

C11H10F11NO — CID 138726115

IUPAC1-[2-[difluoro(3,3,3-trifluoroprop-1-en-2-yloxy)methyl]-1,1,2,3,3,3-hexafluoropropyl]pyrrolidine
SMILESC=C(OC(F)(F)C(F)(C(F)(F)F)C(F)(F)N1CCCC1)C(F)(F)F
InChIInChI=1S/C11H10F11NO/c1-6(7(12,13)14)24-11(21,22)8(15,9(16,17)18)10(19,20)23-4-2-3-5-23/h1-5H2
InChIKeyBRYJGWNVEVSLNZ-UHFFFAOYSA-N
MW381.19 g/mol
LogP4.63
Rot. Bonds5

About 1-[2-[difluoro(3,3,3-trifluoroprop-1-en-2-yloxy)methyl]-1,1,2,3,3,3-hexafluoropropyl]pyrrolidine

1-[2-[difluoro(3,3,3-trifluoroprop-1-en-2-yloxy)methyl]-1,1,2,3,3,3-hexafluoropropyl]pyrrolidine (PubChem CID 138726115) has the molecular formula C11H10F11NO and a molecular weight of 381.19 g/mol. Its IUPAC name is 1-[2-[difluoro(3,3,3-trifluoroprop-1-en-2-yloxy)methyl]-1,1,2,3,3,3-hexafluoropropyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[difluoro(3,3,3-trifluoroprop-1-en-2-yloxy)methyl]-1,1,2,3,3,3-hexafluoropropyl]pyrrolidine
PubChem CID138726115
Molecular FormulaC11H10F11NO
Molecular Weight381.19 g/mol
Exact Mass381.06
IUPAC Name1-[2-[difluoro(3,3,3-trifluoroprop-1-en-2-yloxy)methyl]-1,1,2,3,3,3-hexafluoropropyl]pyrrolidine
SMILESC=C(OC(F)(F)C(F)(C(F)(F)F)C(F)(F)N1CCCC1)C(F)(F)F
InChIInChI=1S/C11H10F11NO/c1-6(7(12,13)14)24-11(21,22)8(15,9(16,17)18)10(19,20)23-4-2-3-5-23/h1-5H2
InChIKeyBRYJGWNVEVSLNZ-UHFFFAOYSA-N
XLogP4.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.19
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrolidine
CID 54109001
2-[bromo(difluoro)methoxy]-3,3,3-trifluoroprop-1-ene
CID 87322838
1-[1,1,3,3,3-pentafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(trifluoromethyl)propyl]piperidine
CID 170513623
1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine
CID 155072526
1-[3-(dichloromethoxy)-1,1,2,2,3,3-hexafluoropropyl]piperidine
CID 20579833
3,3,4,4,4-pentafluoro-2-(3,3,4,4,4-pentafluorobut-1-en-2-yloxy)but-1-ene
CID 56625874
1-(chloro-fluoro-piperidin-1-ylmethyl)piperidine
CID 140998804
2,2-difluoro-2-piperidin-1-ylacetyl fluoride
CID 71775720
1-[(E)-1,1,1,2,4,4,5,5,5-nonafluoropent-2-en-3-yl]azepane
CID 147789534
1-[1,1,1,4,4,4-hexafluoro-3-(trifluoromethyl)but-2-en-2-yl]pyrrolidine
CID 166661052
1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propyl]-4-(1,1,2,2,2-pentafluoroethyl)piperazine
CID 142605367
1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine
CID 129207512

Frequently Asked Questions

What is the IUPAC name of 1-[2-[difluoro(3,3,3-trifluoroprop-1-en-2-yloxy)methyl]-1,1,2,3,3,3-hexafluoropropyl]pyrrolidine?
The IUPAC name of 1-[2-[difluoro(3,3,3-trifluoroprop-1-en-2-yloxy)methyl]-1,1,2,3,3,3-hexafluoropropyl]pyrrolidine (CID 138726115) is 1-[2-[difluoro(3,3,3-trifluoroprop-1-en-2-yloxy)methyl]-1,1,2,3,3,3-hexafluoropropyl]pyrrolidine.
What is the SMILES notation for 1-[2-[difluoro(3,3,3-trifluoroprop-1-en-2-yloxy)methyl]-1,1,2,3,3,3-hexafluoropropyl]pyrrolidine?
The canonical SMILES for 1-[2-[difluoro(3,3,3-trifluoroprop-1-en-2-yloxy)methyl]-1,1,2,3,3,3-hexafluoropropyl]pyrrolidine is C=C(OC(F)(F)C(F)(C(F)(F)F)C(F)(F)N1CCCC1)C(F)(F)F.
What is the InChIKey of 1-[2-[difluoro(3,3,3-trifluoroprop-1-en-2-yloxy)methyl]-1,1,2,3,3,3-hexafluoropropyl]pyrrolidine?
The InChIKey is BRYJGWNVEVSLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F11NO/c1-6(7(12,13)14)24-11(21,22)8(15,9(16,17)18)10(19,20)23-4-2-3-5-23/h1-5H2.
What are the key properties of 1-[2-[difluoro(3,3,3-trifluoroprop-1-en-2-yloxy)methyl]-1,1,2,3,3,3-hexafluoropropyl]pyrrolidine?
1-[2-[difluoro(3,3,3-trifluoroprop-1-en-2-yloxy)methyl]-1,1,2,3,3,3-hexafluoropropyl]pyrrolidine has a molecular weight of 381.19 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[difluoro(3,3,3-trifluoroprop-1-en-2-yloxy)methyl]-1,1,2,3,3,3-hexafluoropropyl]pyrrolidine is sourced from PubChem (CID 138726115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).