4-(4,4,4-trifluorobutoxy)pyrrolidin-3-ol

C8H14F3NO2 — CID 82788429

IUPAC4-(4,4,4-trifluorobutoxy)pyrrolidin-3-ol
SMILESOC1CNCC1OCCCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)2-1-3-14-7-5-12-4-6(7)13/h6-7,12-13H,1-5H2
InChIKeyGWNPKCYAJRPUHZ-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.68
Rot. Bonds4

About 4-(4,4,4-trifluorobutoxy)pyrrolidin-3-ol

4-(4,4,4-trifluorobutoxy)pyrrolidin-3-ol (PubChem CID 82788429) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 4-(4,4,4-trifluorobutoxy)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-(4,4,4-trifluorobutoxy)pyrrolidin-3-ol
PubChem CID82788429
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name4-(4,4,4-trifluorobutoxy)pyrrolidin-3-ol
SMILESOC1CNCC1OCCCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)2-1-3-14-7-5-12-4-6(7)13/h6-7,12-13H,1-5H2
InChIKeyGWNPKCYAJRPUHZ-UHFFFAOYSA-N
XLogP0.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4,4-trifluorobutoxy)pyrrolidin-3-ol?
The IUPAC name of 4-(4,4,4-trifluorobutoxy)pyrrolidin-3-ol (CID 82788429) is 4-(4,4,4-trifluorobutoxy)pyrrolidin-3-ol.
What is the SMILES notation for 4-(4,4,4-trifluorobutoxy)pyrrolidin-3-ol?
The canonical SMILES for 4-(4,4,4-trifluorobutoxy)pyrrolidin-3-ol is OC1CNCC1OCCCC(F)(F)F.
What is the InChIKey of 4-(4,4,4-trifluorobutoxy)pyrrolidin-3-ol?
The InChIKey is GWNPKCYAJRPUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c9-8(10,11)2-1-3-14-7-5-12-4-6(7)13/h6-7,12-13H,1-5H2.
What are the key properties of 4-(4,4,4-trifluorobutoxy)pyrrolidin-3-ol?
4-(4,4,4-trifluorobutoxy)pyrrolidin-3-ol has a molecular weight of 213.20 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,4-trifluorobutoxy)pyrrolidin-3-ol is sourced from PubChem (CID 82788429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).