2-(4,5,5,5-tetrafluoropentyl)pyrrolidine

C9H15F4N — CID 84734753

IUPAC2-(4,5,5,5-tetrafluoropentyl)pyrrolidine
SMILESFC(CCCC1CCCN1)C(F)(F)F
InChIInChI=1S/C9H15F4N/c10-8(9(11,12)13)5-1-3-7-4-2-6-14-7/h7-8,14H,1-6H2
InChIKeyQDSNIJKIXVWACP-UHFFFAOYSA-N
MW213.22 g/mol
LogP2.81
Rot. Bonds4

About 2-(4,5,5,5-tetrafluoropentyl)pyrrolidine

2-(4,5,5,5-tetrafluoropentyl)pyrrolidine (PubChem CID 84734753) has the molecular formula C9H15F4N and a molecular weight of 213.22 g/mol. Its IUPAC name is 2-(4,5,5,5-tetrafluoropentyl)pyrrolidine.

Molecular Properties

Compound Name2-(4,5,5,5-tetrafluoropentyl)pyrrolidine
PubChem CID84734753
Molecular FormulaC9H15F4N
Molecular Weight213.22 g/mol
Exact Mass213.11
IUPAC Name2-(4,5,5,5-tetrafluoropentyl)pyrrolidine
SMILESFC(CCCC1CCCN1)C(F)(F)F
InChIInChI=1S/C9H15F4N/c10-8(9(11,12)13)5-1-3-7-4-2-6-14-7/h7-8,14H,1-6H2
InChIKeyQDSNIJKIXVWACP-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,5,5-tetrafluoropentyl)pyrrolidine?
The IUPAC name of 2-(4,5,5,5-tetrafluoropentyl)pyrrolidine (CID 84734753) is 2-(4,5,5,5-tetrafluoropentyl)pyrrolidine.
What is the SMILES notation for 2-(4,5,5,5-tetrafluoropentyl)pyrrolidine?
The canonical SMILES for 2-(4,5,5,5-tetrafluoropentyl)pyrrolidine is FC(CCCC1CCCN1)C(F)(F)F.
What is the InChIKey of 2-(4,5,5,5-tetrafluoropentyl)pyrrolidine?
The InChIKey is QDSNIJKIXVWACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4N/c10-8(9(11,12)13)5-1-3-7-4-2-6-14-7/h7-8,14H,1-6H2.
What are the key properties of 2-(4,5,5,5-tetrafluoropentyl)pyrrolidine?
2-(4,5,5,5-tetrafluoropentyl)pyrrolidine has a molecular weight of 213.22 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,5,5-tetrafluoropentyl)pyrrolidine is sourced from PubChem (CID 84734753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).