(2S)-1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl chloride

C8H7ClF5NO2 — CID 54033998

IUPAC(2S)-1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl chloride
SMILESO=C(Cl)[C@@H]1CCCN1C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H7ClF5NO2/c9-5(16)4-2-1-3-15(4)6(17)7(10,11)8(12,13)14/h4H,1-3H2/t4-/m0/s1
InChIKeyLHPXTRMKQFQUED-BYPYZUCNSA-N
MW279.59 g/mol
LogP1.94
Rot. Bonds2

About (2S)-1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl chloride

(2S)-1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl chloride (PubChem CID 54033998) has the molecular formula C8H7ClF5NO2 and a molecular weight of 279.59 g/mol. Its IUPAC name is (2S)-1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl chloride.

Molecular Properties

Compound Name(2S)-1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl chloride
PubChem CID54033998
Molecular FormulaC8H7ClF5NO2
Molecular Weight279.59 g/mol
Exact Mass279.01
IUPAC Name(2S)-1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl chloride
SMILESO=C(Cl)[C@@H]1CCCN1C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H7ClF5NO2/c9-5(16)4-2-1-3-15(4)6(17)7(10,11)8(12,13)14/h4H,1-3H2/t4-/m0/s1
InChIKeyLHPXTRMKQFQUED-BYPYZUCNSA-N
XLogP1.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.59
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl chloride?
The IUPAC name of (2S)-1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl chloride (CID 54033998) is (2S)-1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl chloride.
What is the SMILES notation for (2S)-1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl chloride?
The canonical SMILES for (2S)-1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl chloride is O=C(Cl)[C@@H]1CCCN1C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of (2S)-1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl chloride?
The InChIKey is LHPXTRMKQFQUED-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H7ClF5NO2/c9-5(16)4-2-1-3-15(4)6(17)7(10,11)8(12,13)14/h4H,1-3H2/t4-/m0/s1.
What are the key properties of (2S)-1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl chloride?
(2S)-1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl chloride has a molecular weight of 279.59 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl chloride is sourced from PubChem (CID 54033998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).