(3R)-3-(1,1,2,2,2-pentafluoroethoxy)pyrrolidine

C6H8F5NO — CID 75530325

IUPAC(3R)-3-(1,1,2,2,2-pentafluoroethoxy)pyrrolidine
SMILESFC(F)(F)C(F)(F)O[C@@H]1CCNC1
InChIInChI=1S/C6H8F5NO/c7-5(8,9)6(10,11)13-4-1-2-12-3-4/h4,12H,1-3H2/t4-/m1/s1
InChIKeyAYIYFHYRAJPVIO-SCSAIBSYSA-N
MW205.13 g/mol
LogP1.52
Rot. Bonds2

About (3R)-3-(1,1,2,2,2-pentafluoroethoxy)pyrrolidine

(3R)-3-(1,1,2,2,2-pentafluoroethoxy)pyrrolidine (PubChem CID 75530325) has the molecular formula C6H8F5NO and a molecular weight of 205.13 g/mol. Its IUPAC name is (3R)-3-(1,1,2,2,2-pentafluoroethoxy)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(1,1,2,2,2-pentafluoroethoxy)pyrrolidine
PubChem CID75530325
Molecular FormulaC6H8F5NO
Molecular Weight205.13 g/mol
Exact Mass205.05
IUPAC Name(3R)-3-(1,1,2,2,2-pentafluoroethoxy)pyrrolidine
SMILESFC(F)(F)C(F)(F)O[C@@H]1CCNC1
InChIInChI=1S/C6H8F5NO/c7-5(8,9)6(10,11)13-4-1-2-12-3-4/h4,12H,1-3H2/t4-/m1/s1
InChIKeyAYIYFHYRAJPVIO-SCSAIBSYSA-N
XLogP1.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(3,3,3-trifluoropropoxy)pyrrolidine
CID 82955468
[(3S)-pyrrolidin-3-yl] trifluoromethanesulfonate
CID 56973569
CID 143415779
CID 143415779
(3R)-3-methoxypyrrolidine;hydrate
CID 164870177
3-(azetidin-3-yloxy)pyrrolidine;dihydrochloride
CID 155893811
(3R)-3-[(2-methylpropan-2-yl)oxy]piperidine
CID 93493219
ethene;(3S)-3-methoxypyrrolidine
CID 145336336
azetidine;3-methoxypyrrolidine
CID 143553472
(3R)-3-(2-cyclopropylethoxy)pyrrolidine
CID 97000060
(3S)-3-ethoxypyrrolidine
CID 11116030
(3R)-3-(trideuteriomethoxy)pyrrolidine
CID 165149976
3-ethoxypyrrolidine
CID 21333172

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1,1,2,2,2-pentafluoroethoxy)pyrrolidine?
The IUPAC name of (3R)-3-(1,1,2,2,2-pentafluoroethoxy)pyrrolidine (CID 75530325) is (3R)-3-(1,1,2,2,2-pentafluoroethoxy)pyrrolidine.
What is the SMILES notation for (3R)-3-(1,1,2,2,2-pentafluoroethoxy)pyrrolidine?
The canonical SMILES for (3R)-3-(1,1,2,2,2-pentafluoroethoxy)pyrrolidine is FC(F)(F)C(F)(F)O[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-(1,1,2,2,2-pentafluoroethoxy)pyrrolidine?
The InChIKey is AYIYFHYRAJPVIO-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H8F5NO/c7-5(8,9)6(10,11)13-4-1-2-12-3-4/h4,12H,1-3H2/t4-/m1/s1.
What are the key properties of (3R)-3-(1,1,2,2,2-pentafluoroethoxy)pyrrolidine?
(3R)-3-(1,1,2,2,2-pentafluoroethoxy)pyrrolidine has a molecular weight of 205.13 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1,1,2,2,2-pentafluoroethoxy)pyrrolidine is sourced from PubChem (CID 75530325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).