3-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-3-ol

C6H8F5NO — CID 155160639

IUPAC3-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-3-ol
SMILESOC1(C(F)(F)C(F)(F)F)CCNC1
InChIInChI=1S/C6H8F5NO/c7-5(8,6(9,10)11)4(13)1-2-12-3-4/h12-13H,1-3H2
InChIKeyQHJVSBSGQRXXGI-UHFFFAOYSA-N
MW205.13 g/mol
LogP0.91
Rot. Bonds1

About 3-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-3-ol

3-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-3-ol (PubChem CID 155160639) has the molecular formula C6H8F5NO and a molecular weight of 205.13 g/mol. Its IUPAC name is 3-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-3-ol
PubChem CID155160639
Molecular FormulaC6H8F5NO
Molecular Weight205.13 g/mol
Exact Mass205.05
IUPAC Name3-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-3-ol
SMILESOC1(C(F)(F)C(F)(F)F)CCNC1
InChIInChI=1S/C6H8F5NO/c7-5(8,6(9,10)11)4(13)1-2-12-3-4/h12-13H,1-3H2
InChIKeyQHJVSBSGQRXXGI-UHFFFAOYSA-N
XLogP0.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-3-ol?
The IUPAC name of 3-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-3-ol (CID 155160639) is 3-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-3-ol is OC1(C(F)(F)C(F)(F)F)CCNC1.
What is the InChIKey of 3-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-3-ol?
The InChIKey is QHJVSBSGQRXXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F5NO/c7-5(8,6(9,10)11)4(13)1-2-12-3-4/h12-13H,1-3H2.
What are the key properties of 3-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-3-ol?
3-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-3-ol has a molecular weight of 205.13 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-3-ol is sourced from PubChem (CID 155160639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).