3,3-difluoro-1-(5-methylhexa-2,3-dienyl)pyrrolidine

C11H17F2N — CID 162554644

IUPAC3,3-difluoro-1-(5-methylhexa-2,3-dienyl)pyrrolidine
SMILESCC(C)C=C=CCN1CCC(F)(F)C1
InChIInChI=1S/C11H17F2N/c1-10(2)5-3-4-7-14-8-6-11(12,13)9-14/h4-5,10H,6-9H2,1-2H3
InChIKeyJNVCMEHBAWKBKA-UHFFFAOYSA-N
MW201.26 g/mol
LogP2.69
Rot. Bonds3

About 3,3-difluoro-1-(5-methylhexa-2,3-dienyl)pyrrolidine

3,3-difluoro-1-(5-methylhexa-2,3-dienyl)pyrrolidine (PubChem CID 162554644) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is 3,3-difluoro-1-(5-methylhexa-2,3-dienyl)pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-(5-methylhexa-2,3-dienyl)pyrrolidine
PubChem CID162554644
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name3,3-difluoro-1-(5-methylhexa-2,3-dienyl)pyrrolidine
SMILESCC(C)C=C=CCN1CCC(F)(F)C1
InChIInChI=1S/C11H17F2N/c1-10(2)5-3-4-7-14-8-6-11(12,13)9-14/h4-5,10H,6-9H2,1-2H3
InChIKeyJNVCMEHBAWKBKA-UHFFFAOYSA-N
XLogP2.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 52.69
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-(5-methylhexa-2,3-dienyl)pyrrolidine?
The IUPAC name of 3,3-difluoro-1-(5-methylhexa-2,3-dienyl)pyrrolidine (CID 162554644) is 3,3-difluoro-1-(5-methylhexa-2,3-dienyl)pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-(5-methylhexa-2,3-dienyl)pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-(5-methylhexa-2,3-dienyl)pyrrolidine is CC(C)C=C=CCN1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(5-methylhexa-2,3-dienyl)pyrrolidine?
The InChIKey is JNVCMEHBAWKBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N/c1-10(2)5-3-4-7-14-8-6-11(12,13)9-14/h4-5,10H,6-9H2,1-2H3.
What are the key properties of 3,3-difluoro-1-(5-methylhexa-2,3-dienyl)pyrrolidine?
3,3-difluoro-1-(5-methylhexa-2,3-dienyl)pyrrolidine has a molecular weight of 201.26 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(5-methylhexa-2,3-dienyl)pyrrolidine is sourced from PubChem (CID 162554644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).