(2R)-2-(7,7,8,8,8-pentafluorooctyl)pyrrolidine

C12H20F5N — CID 86666688

IUPAC(2R)-2-(7,7,8,8,8-pentafluorooctyl)pyrrolidine
SMILESFC(F)(F)C(F)(F)CCCCCC[C@@H]1CCCN1
InChIInChI=1S/C12H20F5N/c13-11(14,12(15,16)17)8-4-2-1-3-6-10-7-5-9-18-10/h10,18H,1-9H2/t10-/m1/s1
InChIKeyZRVNRVAIEDDVLI-SNVBAGLBSA-N
MW273.29 g/mol
LogP4.28
Rot. Bonds7

About (2R)-2-(7,7,8,8,8-pentafluorooctyl)pyrrolidine

(2R)-2-(7,7,8,8,8-pentafluorooctyl)pyrrolidine (PubChem CID 86666688) has the molecular formula C12H20F5N and a molecular weight of 273.29 g/mol. Its IUPAC name is (2R)-2-(7,7,8,8,8-pentafluorooctyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(7,7,8,8,8-pentafluorooctyl)pyrrolidine
PubChem CID86666688
Molecular FormulaC12H20F5N
Molecular Weight273.29 g/mol
Exact Mass273.15
IUPAC Name(2R)-2-(7,7,8,8,8-pentafluorooctyl)pyrrolidine
SMILESFC(F)(F)C(F)(F)CCCCCC[C@@H]1CCCN1
InChIInChI=1S/C12H20F5N/c13-11(14,12(15,16)17)8-4-2-1-3-6-10-7-5-9-18-10/h10,18H,1-9H2/t10-/m1/s1
InChIKeyZRVNRVAIEDDVLI-SNVBAGLBSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4,4,5,5,5-pentafluoropentylsulfonyl)butyl]pyrrolidine
CID 123745276
7-pyrrolidin-2-ylheptan-1-ol
CID 10330055
(2S)-2-hexylpyrrolidine
CID 7047826
2-(4,5,5,5-tetrafluoropentyl)pyrrolidine
CID 84734753
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
2-tetradecylpiperidine
CID 151771246
2-(2-cyclopropylethyl)pyrrolidine
CID 23166213
2-[6-[4-(trifluoromethoxy)phenoxy]hexyl]pyrrolidine
CID 90909757
4-(2-pyrrolidin-2-ylethyl)piperidine
CID 67721299
5-pyrrolidin-2-ylpentanenitrile
CID 174696623
2-heptadecylazepane
CID 4009189

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(7,7,8,8,8-pentafluorooctyl)pyrrolidine?
The IUPAC name of (2R)-2-(7,7,8,8,8-pentafluorooctyl)pyrrolidine (CID 86666688) is (2R)-2-(7,7,8,8,8-pentafluorooctyl)pyrrolidine.
What is the SMILES notation for (2R)-2-(7,7,8,8,8-pentafluorooctyl)pyrrolidine?
The canonical SMILES for (2R)-2-(7,7,8,8,8-pentafluorooctyl)pyrrolidine is FC(F)(F)C(F)(F)CCCCCC[C@@H]1CCCN1.
What is the InChIKey of (2R)-2-(7,7,8,8,8-pentafluorooctyl)pyrrolidine?
The InChIKey is ZRVNRVAIEDDVLI-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20F5N/c13-11(14,12(15,16)17)8-4-2-1-3-6-10-7-5-9-18-10/h10,18H,1-9H2/t10-/m1/s1.
What are the key properties of (2R)-2-(7,7,8,8,8-pentafluorooctyl)pyrrolidine?
(2R)-2-(7,7,8,8,8-pentafluorooctyl)pyrrolidine has a molecular weight of 273.29 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(7,7,8,8,8-pentafluorooctyl)pyrrolidine is sourced from PubChem (CID 86666688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).