1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)pyrrolidine;hydrofluoride

C9H14F7NO — CID 157390646

IUPAC1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)pyrrolidine;hydrofluoride
SMILESCCOC(F)(F)C(F)(F)C(F)(F)N1CCCC1.F
InChIInChI=1S/C9H13F6NO.FH/c1-2-17-9(14,15)7(10,11)8(12,13)16-5-3-4-6-16;/h2-6H2,1H3;1H
InChIKeyBLYQLWNMEQQLJQ-UHFFFAOYSA-N
MW285.20 g/mol
LogP3.09
Rot. Bonds5

About 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)pyrrolidine;hydrofluoride

1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)pyrrolidine;hydrofluoride (PubChem CID 157390646) has the molecular formula C9H14F7NO and a molecular weight of 285.20 g/mol. Its IUPAC name is 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)pyrrolidine;hydrofluoride.

Molecular Properties

Compound Name1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)pyrrolidine;hydrofluoride
PubChem CID157390646
Molecular FormulaC9H14F7NO
Molecular Weight285.20 g/mol
Exact Mass285.10
IUPAC Name1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)pyrrolidine;hydrofluoride
SMILESCCOC(F)(F)C(F)(F)C(F)(F)N1CCCC1.F
InChIInChI=1S/C9H13F6NO.FH/c1-2-17-9(14,15)7(10,11)8(12,13)16-5-3-4-6-16;/h2-6H2,1H3;1H
InChIKeyBLYQLWNMEQQLJQ-UHFFFAOYSA-N
XLogP3.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-[Ethoxy(difluoro)methyl]pyrrolidine
CID 18721520
1-Methyl-3-(3,3,3-trifluoropropoxy)pyrrolidine
CID 18722936
1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)pyrrolidine
CID 18725561
3-Fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine
CID 20742857
3,3-Difluoro-1-(3-methoxypropyl)pyrrolidine
CID 21035011
1-(1,1,2,2,3,3-Hexafluoro-3-methoxypropyl)pyrrolidine
CID 57884774
1-(2,2-Difluoropropoxymethyl)pyrrolidine
CID 68196822
Fluoroform;1-methyl-1-(propoxymethyl)pyrrolidin-1-ium
CID 69491476
3-Fluoro-1-(3-methoxypropyl)pyrrolidine
CID 89037355
(3R)-3-fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine
CID 130262104
(3S)-3-fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine
CID 130262105
(3S)-3-fluoro-1-(3-methoxypropyl)pyrrolidine
CID 130270256

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)pyrrolidine;hydrofluoride?
The IUPAC name of 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)pyrrolidine;hydrofluoride (CID 157390646) is 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)pyrrolidine;hydrofluoride.
What is the SMILES notation for 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)pyrrolidine;hydrofluoride?
The canonical SMILES for 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)pyrrolidine;hydrofluoride is CCOC(F)(F)C(F)(F)C(F)(F)N1CCCC1.F.
What is the InChIKey of 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)pyrrolidine;hydrofluoride?
The InChIKey is BLYQLWNMEQQLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6NO.FH/c1-2-17-9(14,15)7(10,11)8(12,13)16-5-3-4-6-16;/h2-6H2,1H3;1H.
What are the key properties of 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)pyrrolidine;hydrofluoride?
1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)pyrrolidine;hydrofluoride has a molecular weight of 285.20 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)pyrrolidine;hydrofluoride is sourced from PubChem (CID 157390646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).