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

C8H13F2N — CID 147394218

IUPAC3,3-difluoro-2-methyl-2-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)C1(C)NCCC1(F)F
InChIInChI=1S/C8H13F2N/c1-6(2)7(3)8(9,10)4-5-11-7/h11H,1,4-5H2,2-3H3
InChIKeyDNMBJVFGLRCPEH-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.95
Rot. Bonds1

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

3,3-difluoro-2-methyl-2-prop-1-en-2-ylpyrrolidine (PubChem CID 147394218) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 3,3-difluoro-2-methyl-2-prop-1-en-2-ylpyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-2-methyl-2-prop-1-en-2-ylpyrrolidine
PubChem CID147394218
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name3,3-difluoro-2-methyl-2-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)C1(C)NCCC1(F)F
InChIInChI=1S/C8H13F2N/c1-6(2)7(3)8(9,10)4-5-11-7/h11H,1,4-5H2,2-3H3
InChIKeyDNMBJVFGLRCPEH-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.95
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 3,3-difluoro-2-methyl-2-prop-1-en-2-ylpyrrolidine?
The IUPAC name of 3,3-difluoro-2-methyl-2-prop-1-en-2-ylpyrrolidine (CID 147394218) is 3,3-difluoro-2-methyl-2-prop-1-en-2-ylpyrrolidine.
What is the SMILES notation for 3,3-difluoro-2-methyl-2-prop-1-en-2-ylpyrrolidine?
The canonical SMILES for 3,3-difluoro-2-methyl-2-prop-1-en-2-ylpyrrolidine is C=C(C)C1(C)NCCC1(F)F.
What is the InChIKey of 3,3-difluoro-2-methyl-2-prop-1-en-2-ylpyrrolidine?
The InChIKey is DNMBJVFGLRCPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-6(2)7(3)8(9,10)4-5-11-7/h11H,1,4-5H2,2-3H3.
What are the key properties of 3,3-difluoro-2-methyl-2-prop-1-en-2-ylpyrrolidine?
3,3-difluoro-2-methyl-2-prop-1-en-2-ylpyrrolidine has a molecular weight of 161.19 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methyl-2-prop-1-en-2-ylpyrrolidine is sourced from PubChem (CID 147394218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).