4,4-difluoro-2,3-dimethyl-1-prop-1-en-2-ylpyrrolidine

C9H15F2N — CID 142433939

IUPAC4,4-difluoro-2,3-dimethyl-1-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)N1CC(F)(F)C(C)C1C
InChIInChI=1S/C9H15F2N/c1-6(2)12-5-9(10,11)7(3)8(12)4/h7-8H,1,5H2,2-4H3
InChIKeyHEOYMLMIMXWLCS-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.50
Rot. Bonds1

About 4,4-difluoro-2,3-dimethyl-1-prop-1-en-2-ylpyrrolidine

4,4-difluoro-2,3-dimethyl-1-prop-1-en-2-ylpyrrolidine (PubChem CID 142433939) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 4,4-difluoro-2,3-dimethyl-1-prop-1-en-2-ylpyrrolidine.

Molecular Properties

Compound Name4,4-difluoro-2,3-dimethyl-1-prop-1-en-2-ylpyrrolidine
PubChem CID142433939
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name4,4-difluoro-2,3-dimethyl-1-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)N1CC(F)(F)C(C)C1C
InChIInChI=1S/C9H15F2N/c1-6(2)12-5-9(10,11)7(3)8(12)4/h7-8H,1,5H2,2-4H3
InChIKeyHEOYMLMIMXWLCS-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2,3-dimethyl-1-prop-1-en-2-ylpyrrolidine?
The IUPAC name of 4,4-difluoro-2,3-dimethyl-1-prop-1-en-2-ylpyrrolidine (CID 142433939) is 4,4-difluoro-2,3-dimethyl-1-prop-1-en-2-ylpyrrolidine.
What is the SMILES notation for 4,4-difluoro-2,3-dimethyl-1-prop-1-en-2-ylpyrrolidine?
The canonical SMILES for 4,4-difluoro-2,3-dimethyl-1-prop-1-en-2-ylpyrrolidine is C=C(C)N1CC(F)(F)C(C)C1C.
What is the InChIKey of 4,4-difluoro-2,3-dimethyl-1-prop-1-en-2-ylpyrrolidine?
The InChIKey is HEOYMLMIMXWLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-6(2)12-5-9(10,11)7(3)8(12)4/h7-8H,1,5H2,2-4H3.
What are the key properties of 4,4-difluoro-2,3-dimethyl-1-prop-1-en-2-ylpyrrolidine?
4,4-difluoro-2,3-dimethyl-1-prop-1-en-2-ylpyrrolidine has a molecular weight of 175.22 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2,3-dimethyl-1-prop-1-en-2-ylpyrrolidine is sourced from PubChem (CID 142433939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).