2-[2,2-difluoro-2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidine

C15H21F2NO — CID 116840127

IUPAC2-[2,2-difluoro-2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidine
SMILESCOc1cc(C)c(C)cc1C(F)(F)CC1CCCN1
InChIInChI=1S/C15H21F2NO/c1-10-7-13(14(19-3)8-11(10)2)15(16,17)9-12-5-4-6-18-12/h7-8,12,18H,4-6,9H2,1-3H3
InChIKeyALZZIBYDWIVVFC-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.55
Rot. Bonds4

About 2-[2,2-difluoro-2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidine

2-[2,2-difluoro-2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidine (PubChem CID 116840127) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[2,2-difluoro-2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name2-[2,2-difluoro-2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidine
PubChem CID116840127
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name2-[2,2-difluoro-2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidine
SMILESCOc1cc(C)c(C)cc1C(F)(F)CC1CCCN1
InChIInChI=1S/C15H21F2NO/c1-10-7-13(14(19-3)8-11(10)2)15(16,17)9-12-5-4-6-18-12/h7-8,12,18H,4-6,9H2,1-3H3
InChIKeyALZZIBYDWIVVFC-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840108
2-[2-(5-bromo-2-methylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840165
2-[2,2-difluoro-2-(2-methyl-5-propan-2-ylphenyl)ethyl]pyrrolidine
CID 116840148
2-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84806173
2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 117401448
2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117316517
2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine
CID 117377110
2-[2,2-difluoro-2-(5-methylfuran-2-yl)ethyl]pyrrolidine
CID 116840169
1-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-2-ylethanamine
CID 116936006
2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117396171
2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine
CID 117427732
2-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]piperidine
CID 116840282

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoro-2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidine?
The IUPAC name of 2-[2,2-difluoro-2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidine (CID 116840127) is 2-[2,2-difluoro-2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidine.
What is the SMILES notation for 2-[2,2-difluoro-2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidine?
The canonical SMILES for 2-[2,2-difluoro-2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidine is COc1cc(C)c(C)cc1C(F)(F)CC1CCCN1.
What is the InChIKey of 2-[2,2-difluoro-2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidine?
The InChIKey is ALZZIBYDWIVVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-10-7-13(14(19-3)8-11(10)2)15(16,17)9-12-5-4-6-18-12/h7-8,12,18H,4-6,9H2,1-3H3.
What are the key properties of 2-[2,2-difluoro-2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidine?
2-[2,2-difluoro-2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidine has a molecular weight of 269.33 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoro-2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidine is sourced from PubChem (CID 116840127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).