2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine

C10H13F6N — CID 121451030

IUPAC2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine
SMILESFC(F)(F)C(=CCCC1CCCN1)C(F)(F)F
InChIInChI=1S/C10H13F6N/c11-9(12,13)8(10(14,15)16)5-1-3-7-4-2-6-17-7/h5,7,17H,1-4,6H2
InChIKeyMDCYJYOWJKSJID-UHFFFAOYSA-N
MW261.21 g/mol
LogP3.57
Rot. Bonds3

About 2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine

2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine (PubChem CID 121451030) has the molecular formula C10H13F6N and a molecular weight of 261.21 g/mol. Its IUPAC name is 2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine.

Molecular Properties

Compound Name2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine
PubChem CID121451030
Molecular FormulaC10H13F6N
Molecular Weight261.21 g/mol
Exact Mass261.10
IUPAC Name2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine
SMILESFC(F)(F)C(=CCCC1CCCN1)C(F)(F)F
InChIInChI=1S/C10H13F6N/c11-9(12,13)8(10(14,15)16)5-1-3-7-4-2-6-17-7/h5,7,17H,1-4,6H2
InChIKeyMDCYJYOWJKSJID-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine?
The IUPAC name of 2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine (CID 121451030) is 2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine.
What is the SMILES notation for 2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine?
The canonical SMILES for 2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine is FC(F)(F)C(=CCCC1CCCN1)C(F)(F)F.
What is the InChIKey of 2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine?
The InChIKey is MDCYJYOWJKSJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6N/c11-9(12,13)8(10(14,15)16)5-1-3-7-4-2-6-17-7/h5,7,17H,1-4,6H2.
What are the key properties of 2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine?
2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine has a molecular weight of 261.21 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine is sourced from PubChem (CID 121451030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).