3,3-difluoro-1-prop-1-en-2-ylpyrrolidine

C7H11F2N — CID 143542129

IUPAC3,3-difluoro-1-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)N1CCC(F)(F)C1
InChIInChI=1S/C7H11F2N/c1-6(2)10-4-3-7(8,9)5-10/h1,3-5H2,2H3
InChIKeyUYQFIQDGSGTVPY-UHFFFAOYSA-N
MW147.17 g/mol
LogP1.86
Rot. Bonds1

About 3,3-difluoro-1-prop-1-en-2-ylpyrrolidine

3,3-difluoro-1-prop-1-en-2-ylpyrrolidine (PubChem CID 143542129) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 3,3-difluoro-1-prop-1-en-2-ylpyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-prop-1-en-2-ylpyrrolidine
PubChem CID143542129
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name3,3-difluoro-1-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)N1CCC(F)(F)C1
InChIInChI=1S/C7H11F2N/c1-6(2)10-4-3-7(8,9)5-10/h1,3-5H2,2H3
InChIKeyUYQFIQDGSGTVPY-UHFFFAOYSA-N
XLogP1.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-prop-1-en-2-ylpyrrolidine?
The IUPAC name of 3,3-difluoro-1-prop-1-en-2-ylpyrrolidine (CID 143542129) is 3,3-difluoro-1-prop-1-en-2-ylpyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-prop-1-en-2-ylpyrrolidine?
The canonical SMILES for 3,3-difluoro-1-prop-1-en-2-ylpyrrolidine is C=C(C)N1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-prop-1-en-2-ylpyrrolidine?
The InChIKey is UYQFIQDGSGTVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N/c1-6(2)10-4-3-7(8,9)5-10/h1,3-5H2,2H3.
What are the key properties of 3,3-difluoro-1-prop-1-en-2-ylpyrrolidine?
3,3-difluoro-1-prop-1-en-2-ylpyrrolidine has a molecular weight of 147.17 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-prop-1-en-2-ylpyrrolidine is sourced from PubChem (CID 143542129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).