3,3-difluoro-1-(2,4,6-trimethylphenyl)pyrrolidine

C13H17F2N — CID 117007604

IUPAC3,3-difluoro-1-(2,4,6-trimethylphenyl)pyrrolidine
SMILESCc1cc(C)c(N2CCC(F)(F)C2)c(C)c1
InChIInChI=1S/C13H17F2N/c1-9-6-10(2)12(11(3)7-9)16-5-4-13(14,15)8-16/h6-7H,4-5,8H2,1-3H3
InChIKeyKXTLBDOPWXXJAM-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.46
Rot. Bonds1

About 3,3-difluoro-1-(2,4,6-trimethylphenyl)pyrrolidine

3,3-difluoro-1-(2,4,6-trimethylphenyl)pyrrolidine (PubChem CID 117007604) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 3,3-difluoro-1-(2,4,6-trimethylphenyl)pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-(2,4,6-trimethylphenyl)pyrrolidine
PubChem CID117007604
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name3,3-difluoro-1-(2,4,6-trimethylphenyl)pyrrolidine
SMILESCc1cc(C)c(N2CCC(F)(F)C2)c(C)c1
InChIInChI=1S/C13H17F2N/c1-9-6-10(2)12(11(3)7-9)16-5-4-13(14,15)8-16/h6-7H,4-5,8H2,1-3H3
InChIKeyKXTLBDOPWXXJAM-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-difluoro-1-(2,4,6-trimethylphenyl)piperidine
CID 117007689
3-methyl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid
CID 117013202
[3-amino-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]methanol
CID 117012230
[4-(aminomethyl)-1-(2,4,6-trimethylphenyl)piperidin-4-yl]methanamine
CID 117007853
4-(3,3-difluoropyrrolidin-1-yl)-3,5-difluoroaniline
CID 146019182
1-(5-chloro-2-methylphenyl)-3,3-difluoropyrrolidine
CID 117007615
[4-(3,3-difluoropyrrolidin-1-yl)-2-methylphenyl]methanamine
CID 169489232
1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole
CID 171371589
4-bromo-6-(3,3-difluoropyrrolidin-1-yl)-2-methylpyrimidine
CID 131093374
4-(3,3-difluoropyrrolidin-1-yl)-6-methylquinazoline
CID 136520741
4,4-difluoro-1-(4-methylphenyl)piperidine;ethane
CID 145061539
[4,4-dimethyl-1-(2,4,6-trimethylphenyl)piperidin-3-yl]methanamine
CID 117025776

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2,4,6-trimethylphenyl)pyrrolidine?
The IUPAC name of 3,3-difluoro-1-(2,4,6-trimethylphenyl)pyrrolidine (CID 117007604) is 3,3-difluoro-1-(2,4,6-trimethylphenyl)pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-(2,4,6-trimethylphenyl)pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-(2,4,6-trimethylphenyl)pyrrolidine is Cc1cc(C)c(N2CCC(F)(F)C2)c(C)c1.
What is the InChIKey of 3,3-difluoro-1-(2,4,6-trimethylphenyl)pyrrolidine?
The InChIKey is KXTLBDOPWXXJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-9-6-10(2)12(11(3)7-9)16-5-4-13(14,15)8-16/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 3,3-difluoro-1-(2,4,6-trimethylphenyl)pyrrolidine?
3,3-difluoro-1-(2,4,6-trimethylphenyl)pyrrolidine has a molecular weight of 225.28 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(2,4,6-trimethylphenyl)pyrrolidine is sourced from PubChem (CID 117007604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).