2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]pyrrolidine

C10H17F4NO — CID 62478899

IUPAC2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]pyrrolidine
SMILESFC(F)C(F)(F)COCCCC1CCCN1
InChIInChI=1S/C10H17F4NO/c11-9(12)10(13,14)7-16-6-2-4-8-3-1-5-15-8/h8-9,15H,1-7H2
InChIKeyZZSZREMGCZRBSM-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.44
Rot. Bonds7

About 2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]pyrrolidine

2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]pyrrolidine (PubChem CID 62478899) has the molecular formula C10H17F4NO and a molecular weight of 243.24 g/mol. Its IUPAC name is 2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]pyrrolidine
PubChem CID62478899
Molecular FormulaC10H17F4NO
Molecular Weight243.24 g/mol
Exact Mass243.12
IUPAC Name2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]pyrrolidine
SMILESFC(F)C(F)(F)COCCCC1CCCN1
InChIInChI=1S/C10H17F4NO/c11-9(12)10(13,14)7-16-6-2-4-8-3-1-5-15-8/h8-9,15H,1-7H2
InChIKeyZZSZREMGCZRBSM-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]pyrrolidine?
The IUPAC name of 2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]pyrrolidine (CID 62478899) is 2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]pyrrolidine.
What is the SMILES notation for 2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]pyrrolidine?
The canonical SMILES for 2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]pyrrolidine is FC(F)C(F)(F)COCCCC1CCCN1.
What is the InChIKey of 2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]pyrrolidine?
The InChIKey is ZZSZREMGCZRBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F4NO/c11-9(12)10(13,14)7-16-6-2-4-8-3-1-5-15-8/h8-9,15H,1-7H2.
What are the key properties of 2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]pyrrolidine?
2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]pyrrolidine has a molecular weight of 243.24 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]pyrrolidine is sourced from PubChem (CID 62478899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).