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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Related Compounds

2-cyclopropyl-2-methylaziridine
CID 149208291
2-cyclopentyl-4,4-difluoro-2-methylpiperidine
CID 115023054
2-cyclopropyl-2-methyl-5-propan-2-ylpiperazine
CID 64884454
5-cyclopropyl-2,2-diethyl-1,5-dimethylpiperazine
CID 64860018
5-cyclohexyl-2-cyclopropyl-2-methylpiperazine
CID 64883284
2,5-dicyclopropyl-1-ethyl-2,5-dimethylpiperazine
CID 64859833
5-cyclopropyl-2,2-diethyl-1-(2-fluoroethyl)-5-methylpiperazine
CID 80697138
1-cycloheptyl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
CID 82936095
1-butan-2-yl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
CID 79445840
5-cyclopropyl-2,2,5-trimethyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64876752
2-(4,4-difluoro-2-methylpyrrolidin-2-yl)acetic acid
CID 174770713
2-cycloheptyl-4-fluoro-2-methylpyrrolidine;hydrochloride
CID 115041274

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).