3-[(E)-1-(2,2-difluorocyclopropyl)prop-1-en-2-yl]pyrrolidine

C10H15F2N — CID 164649193

IUPAC3-[(E)-1-(2,2-difluorocyclopropyl)prop-1-en-2-yl]pyrrolidine
SMILESC/C(=C\C1CC1(F)F)C1CCNC1
InChIInChI=1S/C10H15F2N/c1-7(8-2-3-13-6-8)4-9-5-10(9,11)12/h4,8-9,13H,2-3,5-6H2,1H3/b7-4+
InChIKeyRUNILYDMROYSLI-QPJJXVBHSA-N
MW187.23 g/mol
LogP2.20
Rot. Bonds2

About 3-[(E)-1-(2,2-difluorocyclopropyl)prop-1-en-2-yl]pyrrolidine

3-[(E)-1-(2,2-difluorocyclopropyl)prop-1-en-2-yl]pyrrolidine (PubChem CID 164649193) has the molecular formula C10H15F2N and a molecular weight of 187.23 g/mol. Its IUPAC name is 3-[(E)-1-(2,2-difluorocyclopropyl)prop-1-en-2-yl]pyrrolidine.

Molecular Properties

Compound Name3-[(E)-1-(2,2-difluorocyclopropyl)prop-1-en-2-yl]pyrrolidine
PubChem CID164649193
Molecular FormulaC10H15F2N
Molecular Weight187.23 g/mol
Exact Mass187.12
IUPAC Name3-[(E)-1-(2,2-difluorocyclopropyl)prop-1-en-2-yl]pyrrolidine
SMILESC/C(=C\C1CC1(F)F)C1CCNC1
InChIInChI=1S/C10H15F2N/c1-7(8-2-3-13-6-8)4-9-5-10(9,11)12/h4,8-9,13H,2-3,5-6H2,1H3/b7-4+
InChIKeyRUNILYDMROYSLI-QPJJXVBHSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-(2,2-difluorocyclopropyl)prop-1-en-2-yl]pyrrolidine?
The IUPAC name of 3-[(E)-1-(2,2-difluorocyclopropyl)prop-1-en-2-yl]pyrrolidine (CID 164649193) is 3-[(E)-1-(2,2-difluorocyclopropyl)prop-1-en-2-yl]pyrrolidine.
What is the SMILES notation for 3-[(E)-1-(2,2-difluorocyclopropyl)prop-1-en-2-yl]pyrrolidine?
The canonical SMILES for 3-[(E)-1-(2,2-difluorocyclopropyl)prop-1-en-2-yl]pyrrolidine is C/C(=C\C1CC1(F)F)C1CCNC1.
What is the InChIKey of 3-[(E)-1-(2,2-difluorocyclopropyl)prop-1-en-2-yl]pyrrolidine?
The InChIKey is RUNILYDMROYSLI-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H15F2N/c1-7(8-2-3-13-6-8)4-9-5-10(9,11)12/h4,8-9,13H,2-3,5-6H2,1H3/b7-4+.
What are the key properties of 3-[(E)-1-(2,2-difluorocyclopropyl)prop-1-en-2-yl]pyrrolidine?
3-[(E)-1-(2,2-difluorocyclopropyl)prop-1-en-2-yl]pyrrolidine has a molecular weight of 187.23 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-(2,2-difluorocyclopropyl)prop-1-en-2-yl]pyrrolidine is sourced from PubChem (CID 164649193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).