2-(4,4-difluorocyclohexyl)-5-ethyl-3,4-dihydro-2H-pyrrole

C12H19F2N — CID 166769747

IUPAC2-(4,4-difluorocyclohexyl)-5-ethyl-3,4-dihydro-2H-pyrrole
SMILESCCC1=NC(C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C12H19F2N/c1-2-10-3-4-11(15-10)9-5-7-12(13,14)8-6-9/h9,11H,2-8H2,1H3
InChIKeyBKXQOTJYPMQTIY-UHFFFAOYSA-N
MW215.29 g/mol
LogP3.83
Rot. Bonds2

About 2-(4,4-difluorocyclohexyl)-5-ethyl-3,4-dihydro-2H-pyrrole

2-(4,4-difluorocyclohexyl)-5-ethyl-3,4-dihydro-2H-pyrrole (PubChem CID 166769747) has the molecular formula C12H19F2N and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-5-ethyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-5-ethyl-3,4-dihydro-2H-pyrrole
PubChem CID166769747
Molecular FormulaC12H19F2N
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-(4,4-difluorocyclohexyl)-5-ethyl-3,4-dihydro-2H-pyrrole
SMILESCCC1=NC(C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C12H19F2N/c1-2-10-3-4-11(15-10)9-5-7-12(13,14)8-6-9/h9,11H,2-8H2,1H3
InChIKeyBKXQOTJYPMQTIY-UHFFFAOYSA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-5-ethyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-5-ethyl-3,4-dihydro-2H-pyrrole (CID 166769747) is 2-(4,4-difluorocyclohexyl)-5-ethyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-5-ethyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-5-ethyl-3,4-dihydro-2H-pyrrole is CCC1=NC(C2CCC(F)(F)CC2)CC1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-5-ethyl-3,4-dihydro-2H-pyrrole?
The InChIKey is BKXQOTJYPMQTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N/c1-2-10-3-4-11(15-10)9-5-7-12(13,14)8-6-9/h9,11H,2-8H2,1H3.
What are the key properties of 2-(4,4-difluorocyclohexyl)-5-ethyl-3,4-dihydro-2H-pyrrole?
2-(4,4-difluorocyclohexyl)-5-ethyl-3,4-dihydro-2H-pyrrole has a molecular weight of 215.29 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-5-ethyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 166769747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).