1-[3-(trifluoromethoxy)propyl]pyrrolidine

C8H14F3NO — CID 154073938

IUPAC1-[3-(trifluoromethoxy)propyl]pyrrolidine
SMILESFC(F)(F)OCCCN1CCCC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)13-7-3-6-12-4-1-2-5-12/h1-7H2
InChIKeyUWBKTHDGGYHURE-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.01
Rot. Bonds4

About 1-[3-(trifluoromethoxy)propyl]pyrrolidine

1-[3-(trifluoromethoxy)propyl]pyrrolidine (PubChem CID 154073938) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-[3-(trifluoromethoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(trifluoromethoxy)propyl]pyrrolidine
PubChem CID154073938
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1-[3-(trifluoromethoxy)propyl]pyrrolidine
SMILESFC(F)(F)OCCCN1CCCC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)13-7-3-6-12-4-1-2-5-12/h1-7H2
InChIKeyUWBKTHDGGYHURE-UHFFFAOYSA-N
XLogP2.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[Difluoro(methoxy)methyl]pyrrolidine
CID 18721518
1-[Ethoxy(difluoro)methyl]pyrrolidine
CID 18721520
1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)pyrrolidine
CID 18725561
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
1-Methyl-2-(trifluoromethoxy)pyrrolidine
CID 123430587
(3S)-3-fluoro-1-(3-methoxypropyl)pyrrolidine
CID 130270256
(3R)-3-fluoro-1-(3-methoxypropyl)pyrrolidine
CID 130270427
2,2,3,3,4,4,5,5-Octafluoro-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine
CID 130407887

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethoxy)propyl]pyrrolidine?
The IUPAC name of 1-[3-(trifluoromethoxy)propyl]pyrrolidine (CID 154073938) is 1-[3-(trifluoromethoxy)propyl]pyrrolidine.
What is the SMILES notation for 1-[3-(trifluoromethoxy)propyl]pyrrolidine?
The canonical SMILES for 1-[3-(trifluoromethoxy)propyl]pyrrolidine is FC(F)(F)OCCCN1CCCC1.
What is the InChIKey of 1-[3-(trifluoromethoxy)propyl]pyrrolidine?
The InChIKey is UWBKTHDGGYHURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)13-7-3-6-12-4-1-2-5-12/h1-7H2.
What are the key properties of 1-[3-(trifluoromethoxy)propyl]pyrrolidine?
1-[3-(trifluoromethoxy)propyl]pyrrolidine has a molecular weight of 197.20 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethoxy)propyl]pyrrolidine is sourced from PubChem (CID 154073938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).