3,3-difluoro-1-(5-methylcyclohexa-1,5-dien-1-yl)pyrrolidine

C11H15F2N — CID 166838445

IUPAC3,3-difluoro-1-(5-methylcyclohexa-1,5-dien-1-yl)pyrrolidine
SMILESCC1=CC(N2CCC(F)(F)C2)=CCC1
InChIInChI=1S/C11H15F2N/c1-9-3-2-4-10(7-9)14-6-5-11(12,13)8-14/h4,7H,2-3,5-6,8H2,1H3
InChIKeyICPBJEPZHJBRTP-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.95
Rot. Bonds1

About 3,3-difluoro-1-(5-methylcyclohexa-1,5-dien-1-yl)pyrrolidine

3,3-difluoro-1-(5-methylcyclohexa-1,5-dien-1-yl)pyrrolidine (PubChem CID 166838445) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 3,3-difluoro-1-(5-methylcyclohexa-1,5-dien-1-yl)pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-(5-methylcyclohexa-1,5-dien-1-yl)pyrrolidine
PubChem CID166838445
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name3,3-difluoro-1-(5-methylcyclohexa-1,5-dien-1-yl)pyrrolidine
SMILESCC1=CC(N2CCC(F)(F)C2)=CCC1
InChIInChI=1S/C11H15F2N/c1-9-3-2-4-10(7-9)14-6-5-11(12,13)8-14/h4,7H,2-3,5-6,8H2,1H3
InChIKeyICPBJEPZHJBRTP-UHFFFAOYSA-N
XLogP2.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3-difluoro-1-(5-methylcyclohexa-1,5-dien-1-yl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(5-methylcyclohexa-1,5-dien-1-yl)pyrrolidine?
The IUPAC name of 3,3-difluoro-1-(5-methylcyclohexa-1,5-dien-1-yl)pyrrolidine (CID 166838445) is 3,3-difluoro-1-(5-methylcyclohexa-1,5-dien-1-yl)pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-(5-methylcyclohexa-1,5-dien-1-yl)pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-(5-methylcyclohexa-1,5-dien-1-yl)pyrrolidine is CC1=CC(N2CCC(F)(F)C2)=CCC1.
What is the InChIKey of 3,3-difluoro-1-(5-methylcyclohexa-1,5-dien-1-yl)pyrrolidine?
The InChIKey is ICPBJEPZHJBRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-9-3-2-4-10(7-9)14-6-5-11(12,13)8-14/h4,7H,2-3,5-6,8H2,1H3.
What are the key properties of 3,3-difluoro-1-(5-methylcyclohexa-1,5-dien-1-yl)pyrrolidine?
3,3-difluoro-1-(5-methylcyclohexa-1,5-dien-1-yl)pyrrolidine has a molecular weight of 199.24 g/mol, XLogP of 2.95, 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-(5-methylcyclohexa-1,5-dien-1-yl)pyrrolidine is sourced from PubChem (CID 166838445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).