3-(2,6-difluorophenyl)-2,2,3-trimethylpyrrolidine

C13H17F2N — CID 62354191

IUPAC3-(2,6-difluorophenyl)-2,2,3-trimethylpyrrolidine
SMILESCC1(C)NCCC1(C)c1c(F)cccc1F
InChIInChI=1S/C13H17F2N/c1-12(2)13(3,7-8-16-12)11-9(14)5-4-6-10(11)15/h4-6,16H,7-8H2,1-3H3
InChIKeyHYEYLOPCUZHJQG-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.99
Rot. Bonds1

About 3-(2,6-difluorophenyl)-2,2,3-trimethylpyrrolidine

3-(2,6-difluorophenyl)-2,2,3-trimethylpyrrolidine (PubChem CID 62354191) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-2,2,3-trimethylpyrrolidine.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-2,2,3-trimethylpyrrolidine
PubChem CID62354191
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name3-(2,6-difluorophenyl)-2,2,3-trimethylpyrrolidine
SMILESCC1(C)NCCC1(C)c1c(F)cccc1F
InChIInChI=1S/C13H17F2N/c1-12(2)13(3,7-8-16-12)11-9(14)5-4-6-10(11)15/h4-6,16H,7-8H2,1-3H3
InChIKeyHYEYLOPCUZHJQG-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,5-difluoro-4-methyl-2,3-dihydro-1H-quinoline
CID 84718702
6-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
CID 130526508
2-(2,6-difluorophenyl)-2-propan-2-ylazepane
CID 79118040
2-[(2-fluorophenyl)methyl]-2-propan-2-ylazetidine
CID 115058741
2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117324202
3-(2-methoxy-5-methylphenyl)-2,2,3-trimethylpyrrolidine
CID 62355607
2-[(2,3-difluorophenyl)methyl]-2-methylpyrrolidine
CID 66466439
6-fluorospiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]
CID 115018593
4-(3-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64952525
trans-(1R,2R)-2-(2,6-difluorophenyl)-2-methylcyclopropan-1-amine
CID 94419555
2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine
CID 117301634
(8-fluoro-2-methyl-3,4-dihydro-1H-quinolin-2-yl)methanol
CID 117193715

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-2,2,3-trimethylpyrrolidine?
The IUPAC name of 3-(2,6-difluorophenyl)-2,2,3-trimethylpyrrolidine (CID 62354191) is 3-(2,6-difluorophenyl)-2,2,3-trimethylpyrrolidine.
What is the SMILES notation for 3-(2,6-difluorophenyl)-2,2,3-trimethylpyrrolidine?
The canonical SMILES for 3-(2,6-difluorophenyl)-2,2,3-trimethylpyrrolidine is CC1(C)NCCC1(C)c1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluorophenyl)-2,2,3-trimethylpyrrolidine?
The InChIKey is HYEYLOPCUZHJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-12(2)13(3,7-8-16-12)11-9(14)5-4-6-10(11)15/h4-6,16H,7-8H2,1-3H3.
What are the key properties of 3-(2,6-difluorophenyl)-2,2,3-trimethylpyrrolidine?
3-(2,6-difluorophenyl)-2,2,3-trimethylpyrrolidine has a molecular weight of 225.28 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-2,2,3-trimethylpyrrolidine is sourced from PubChem (CID 62354191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).