1-[1,1,1,2,3,5,5,5-octafluoro-4-(trifluoromethyl)pent-3-en-2-yl]pyrrolidine

C10H8F11N — CID 13196945

IUPAC1-[1,1,1,2,3,5,5,5-octafluoro-4-(trifluoromethyl)pent-3-en-2-yl]pyrrolidine
SMILESFC(=C(C(F)(F)F)C(F)(F)F)C(F)(N1CCCC1)C(F)(F)F
InChIInChI=1S/C10H8F11N/c11-6(5(8(13,14)15)9(16,17)18)7(12,10(19,20)21)22-3-1-2-4-22/h1-4H2
InChIKeyVARKEOLGWKPPNZ-UHFFFAOYSA-N
MW351.16 g/mol
LogP4.66
Rot. Bonds2

About 1-[1,1,1,2,3,5,5,5-octafluoro-4-(trifluoromethyl)pent-3-en-2-yl]pyrrolidine

1-[1,1,1,2,3,5,5,5-octafluoro-4-(trifluoromethyl)pent-3-en-2-yl]pyrrolidine (PubChem CID 13196945) has the molecular formula C10H8F11N and a molecular weight of 351.16 g/mol. Its IUPAC name is 1-[1,1,1,2,3,5,5,5-octafluoro-4-(trifluoromethyl)pent-3-en-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[1,1,1,2,3,5,5,5-octafluoro-4-(trifluoromethyl)pent-3-en-2-yl]pyrrolidine
PubChem CID13196945
Molecular FormulaC10H8F11N
Molecular Weight351.16 g/mol
Exact Mass351.05
IUPAC Name1-[1,1,1,2,3,5,5,5-octafluoro-4-(trifluoromethyl)pent-3-en-2-yl]pyrrolidine
SMILESFC(=C(C(F)(F)F)C(F)(F)F)C(F)(N1CCCC1)C(F)(F)F
InChIInChI=1S/C10H8F11N/c11-6(5(8(13,14)15)9(16,17)18)7(12,10(19,20)21)22-3-1-2-4-22/h1-4H2
InChIKeyVARKEOLGWKPPNZ-UHFFFAOYSA-N
XLogP4.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,2,3,5,5,5-octafluoro-4-(trifluoromethyl)pent-3-en-2-yl]pyrrolidine?
The IUPAC name of 1-[1,1,1,2,3,5,5,5-octafluoro-4-(trifluoromethyl)pent-3-en-2-yl]pyrrolidine (CID 13196945) is 1-[1,1,1,2,3,5,5,5-octafluoro-4-(trifluoromethyl)pent-3-en-2-yl]pyrrolidine.
What is the SMILES notation for 1-[1,1,1,2,3,5,5,5-octafluoro-4-(trifluoromethyl)pent-3-en-2-yl]pyrrolidine?
The canonical SMILES for 1-[1,1,1,2,3,5,5,5-octafluoro-4-(trifluoromethyl)pent-3-en-2-yl]pyrrolidine is FC(=C(C(F)(F)F)C(F)(F)F)C(F)(N1CCCC1)C(F)(F)F.
What is the InChIKey of 1-[1,1,1,2,3,5,5,5-octafluoro-4-(trifluoromethyl)pent-3-en-2-yl]pyrrolidine?
The InChIKey is VARKEOLGWKPPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F11N/c11-6(5(8(13,14)15)9(16,17)18)7(12,10(19,20)21)22-3-1-2-4-22/h1-4H2.
What are the key properties of 1-[1,1,1,2,3,5,5,5-octafluoro-4-(trifluoromethyl)pent-3-en-2-yl]pyrrolidine?
1-[1,1,1,2,3,5,5,5-octafluoro-4-(trifluoromethyl)pent-3-en-2-yl]pyrrolidine has a molecular weight of 351.16 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,2,3,5,5,5-octafluoro-4-(trifluoromethyl)pent-3-en-2-yl]pyrrolidine is sourced from PubChem (CID 13196945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).