2-cyclopropyl-4,4-difluoro-2-methylpyrrolidine

C8H13F2N — CID 115012646

IUPAC2-cyclopropyl-4,4-difluoro-2-methylpyrrolidine
SMILESCC1(C2CC2)CC(F)(F)CN1
InChIInChI=1S/C8H13F2N/c1-7(6-2-3-6)4-8(9,10)5-11-7/h6,11H,2-5H2,1H3
InChIKeyPYRRSKCGNIIEEC-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.78
Rot. Bonds1

About 2-cyclopropyl-4,4-difluoro-2-methylpyrrolidine

2-cyclopropyl-4,4-difluoro-2-methylpyrrolidine (PubChem CID 115012646) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 2-cyclopropyl-4,4-difluoro-2-methylpyrrolidine.

Molecular Properties

Compound Name2-cyclopropyl-4,4-difluoro-2-methylpyrrolidine
PubChem CID115012646
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name2-cyclopropyl-4,4-difluoro-2-methylpyrrolidine
SMILESCC1(C2CC2)CC(F)(F)CN1
InChIInChI=1S/C8H13F2N/c1-7(6-2-3-6)4-8(9,10)5-11-7/h6,11H,2-5H2,1H3
InChIKeyPYRRSKCGNIIEEC-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4,4-difluoro-2-methylpyrrolidine?
The IUPAC name of 2-cyclopropyl-4,4-difluoro-2-methylpyrrolidine (CID 115012646) is 2-cyclopropyl-4,4-difluoro-2-methylpyrrolidine.
What is the SMILES notation for 2-cyclopropyl-4,4-difluoro-2-methylpyrrolidine?
The canonical SMILES for 2-cyclopropyl-4,4-difluoro-2-methylpyrrolidine is CC1(C2CC2)CC(F)(F)CN1.
What is the InChIKey of 2-cyclopropyl-4,4-difluoro-2-methylpyrrolidine?
The InChIKey is PYRRSKCGNIIEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-7(6-2-3-6)4-8(9,10)5-11-7/h6,11H,2-5H2,1H3.
What are the key properties of 2-cyclopropyl-4,4-difluoro-2-methylpyrrolidine?
2-cyclopropyl-4,4-difluoro-2-methylpyrrolidine has a molecular weight of 161.19 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4,4-difluoro-2-methylpyrrolidine is sourced from PubChem (CID 115012646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).