1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexa-1,5-dien-1-yl]-3-azabicyclo[3.1.0]hexane

C15H20F2N2 — CID 70814156

IUPAC1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexa-1,5-dien-1-yl]-3-azabicyclo[3.1.0]hexane
SMILESFC1(F)CCN(C2C=CC(C34CNCC3C4)=CC2)C1
InChIInChI=1S/C15H20F2N2/c16-15(17)5-6-19(10-15)13-3-1-11(2-4-13)14-7-12(14)8-18-9-14/h1-3,12-13,18H,4-10H2
InChIKeyTXVIQLMONWUYJP-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.19
Rot. Bonds2

About 1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexa-1,5-dien-1-yl]-3-azabicyclo[3.1.0]hexane

1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexa-1,5-dien-1-yl]-3-azabicyclo[3.1.0]hexane (PubChem CID 70814156) has the molecular formula C15H20F2N2 and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexa-1,5-dien-1-yl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexa-1,5-dien-1-yl]-3-azabicyclo[3.1.0]hexane
PubChem CID70814156
Molecular FormulaC15H20F2N2
Molecular Weight266.33 g/mol
Exact Mass266.16
IUPAC Name1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexa-1,5-dien-1-yl]-3-azabicyclo[3.1.0]hexane
SMILESFC1(F)CCN(C2C=CC(C34CNCC3C4)=CC2)C1
InChIInChI=1S/C15H20F2N2/c16-15(17)5-6-19(10-15)13-3-1-11(2-4-13)14-7-12(14)8-18-9-14/h1-3,12-13,18H,4-10H2
InChIKeyTXVIQLMONWUYJP-UHFFFAOYSA-N
XLogP2.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexa-1,5-dien-1-yl]-3-azabicyclo[3.1.0]hexane 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 1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexa-1,5-dien-1-yl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexa-1,5-dien-1-yl]-3-azabicyclo[3.1.0]hexane (CID 70814156) is 1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexa-1,5-dien-1-yl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexa-1,5-dien-1-yl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexa-1,5-dien-1-yl]-3-azabicyclo[3.1.0]hexane is FC1(F)CCN(C2C=CC(C34CNCC3C4)=CC2)C1.
What is the InChIKey of 1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexa-1,5-dien-1-yl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is TXVIQLMONWUYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2/c16-15(17)5-6-19(10-15)13-3-1-11(2-4-13)14-7-12(14)8-18-9-14/h1-3,12-13,18H,4-10H2.
What are the key properties of 1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexa-1,5-dien-1-yl]-3-azabicyclo[3.1.0]hexane?
1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexa-1,5-dien-1-yl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 266.33 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexa-1,5-dien-1-yl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 70814156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).