1-(1,1,2,3,3-pentafluorohex-5-enyl)pyrrolidine

C10H14F5N — CID 162607539

IUPAC1-(1,1,2,3,3-pentafluorohex-5-enyl)pyrrolidine
SMILESC=CCC(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/h2,8H,1,3-7H2
InChIKeyXXHSQCSKBAVHOV-UHFFFAOYSA-N
MW243.22 g/mol
LogP3.22
Rot. Bonds5

About 1-(1,1,2,3,3-pentafluorohex-5-enyl)pyrrolidine

1-(1,1,2,3,3-pentafluorohex-5-enyl)pyrrolidine (PubChem CID 162607539) has the molecular formula C10H14F5N and a molecular weight of 243.22 g/mol. Its IUPAC name is 1-(1,1,2,3,3-pentafluorohex-5-enyl)pyrrolidine.

Molecular Properties

Compound Name1-(1,1,2,3,3-pentafluorohex-5-enyl)pyrrolidine
PubChem CID162607539
Molecular FormulaC10H14F5N
Molecular Weight243.22 g/mol
Exact Mass243.10
IUPAC Name1-(1,1,2,3,3-pentafluorohex-5-enyl)pyrrolidine
SMILESC=CCC(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/h2,8H,1,3-7H2
InChIKeyXXHSQCSKBAVHOV-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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-(1,1,2,3,3-pentafluorohex-5-enyl)pyrrolidine?
The IUPAC name of 1-(1,1,2,3,3-pentafluorohex-5-enyl)pyrrolidine (CID 162607539) is 1-(1,1,2,3,3-pentafluorohex-5-enyl)pyrrolidine.
What is the SMILES notation for 1-(1,1,2,3,3-pentafluorohex-5-enyl)pyrrolidine?
The canonical SMILES for 1-(1,1,2,3,3-pentafluorohex-5-enyl)pyrrolidine is C=CCC(F)(F)C(F)C(F)(F)N1CCCC1.
What is the InChIKey of 1-(1,1,2,3,3-pentafluorohex-5-enyl)pyrrolidine?
The InChIKey is XXHSQCSKBAVHOV-UHFFFAOYSA-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/h2,8H,1,3-7H2.
What are the key properties of 1-(1,1,2,3,3-pentafluorohex-5-enyl)pyrrolidine?
1-(1,1,2,3,3-pentafluorohex-5-enyl)pyrrolidine has a molecular weight of 243.22 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,3,3-pentafluorohex-5-enyl)pyrrolidine is sourced from PubChem (CID 162607539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).