1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]pyrrolidine

C10H14F5N — CID 134384150

IUPAC1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]pyrrolidine
SMILESC/C=C\C(F)(F)C(F)C(F)(F)N1CCCC1
InChIInChI=1S/C10H14F5N/c1-2-5-9(12,13)8(11)10(14,15)16-6-3-4-7-16/h2,5,8H,3-4,6-7H2,1H3/b5-2-
InChIKeyIUFZXNJVDZUXRE-DJWKRKHSSA-N
MW243.22 g/mol
LogP3.22
Rot. Bonds4

About 1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]pyrrolidine

1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]pyrrolidine (PubChem CID 134384150) has the molecular formula C10H14F5N and a molecular weight of 243.22 g/mol. Its IUPAC name is 1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]pyrrolidine
PubChem CID134384150
Molecular FormulaC10H14F5N
Molecular Weight243.22 g/mol
Exact Mass243.10
IUPAC Name1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]pyrrolidine
SMILESC/C=C\C(F)(F)C(F)C(F)(F)N1CCCC1
InChIInChI=1S/C10H14F5N/c1-2-5-9(12,13)8(11)10(14,15)16-6-3-4-7-16/h2,5,8H,3-4,6-7H2,1H3/b5-2-
InChIKeyIUFZXNJVDZUXRE-DJWKRKHSSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]pyrrolidine?
The IUPAC name of 1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]pyrrolidine (CID 134384150) is 1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]pyrrolidine.
What is the SMILES notation for 1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]pyrrolidine?
The canonical SMILES for 1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]pyrrolidine is C/C=C\C(F)(F)C(F)C(F)(F)N1CCCC1.
What is the InChIKey of 1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]pyrrolidine?
The InChIKey is IUFZXNJVDZUXRE-DJWKRKHSSA-N. The full InChI is InChI=1S/C10H14F5N/c1-2-5-9(12,13)8(11)10(14,15)16-6-3-4-7-16/h2,5,8H,3-4,6-7H2,1H3/b5-2-.
What are the key properties of 1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]pyrrolidine?
1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]pyrrolidine has a molecular weight of 243.22 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]pyrrolidine is sourced from PubChem (CID 134384150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).