1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)pyrrolidine

C10H14F5N — CID 134384140

IUPAC1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)pyrrolidine
SMILESC=C(C)C(F)(F)C(F)C(F)(F)N1CCCC1
InChIInChI=1S/C10H14F5N/c1-7(2)9(12,13)8(11)10(14,15)16-5-3-4-6-16/h8H,1,3-6H2,2H3
InChIKeyKZWNPXMSUGVXMH-UHFFFAOYSA-N
MW243.22 g/mol
LogP3.22
Rot. Bonds4

About 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)pyrrolidine

1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)pyrrolidine (PubChem CID 134384140) has the molecular formula C10H14F5N and a molecular weight of 243.22 g/mol. Its IUPAC name is 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)pyrrolidine.

Molecular Properties

Compound Name1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)pyrrolidine
PubChem CID134384140
Molecular FormulaC10H14F5N
Molecular Weight243.22 g/mol
Exact Mass243.10
IUPAC Name1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)pyrrolidine
SMILESC=C(C)C(F)(F)C(F)C(F)(F)N1CCCC1
InChIInChI=1S/C10H14F5N/c1-7(2)9(12,13)8(11)10(14,15)16-5-3-4-6-16/h8H,1,3-6H2,2H3
InChIKeyKZWNPXMSUGVXMH-UHFFFAOYSA-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-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)pyrrolidine?
The IUPAC name of 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)pyrrolidine (CID 134384140) is 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)pyrrolidine.
What is the SMILES notation for 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)pyrrolidine?
The canonical SMILES for 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)pyrrolidine is C=C(C)C(F)(F)C(F)C(F)(F)N1CCCC1.
What is the InChIKey of 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)pyrrolidine?
The InChIKey is KZWNPXMSUGVXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F5N/c1-7(2)9(12,13)8(11)10(14,15)16-5-3-4-6-16/h8H,1,3-6H2,2H3.
What are the key properties of 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)pyrrolidine?
1-(1,1,2,3,3-pentafluoro-4-methylpent-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-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)pyrrolidine is sourced from PubChem (CID 134384140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).