4,4-difluoro-2-(2-methyl-5-propan-2-ylphenyl)pyrrolidine

C14H19F2N — CID 176665910

IUPAC4,4-difluoro-2-(2-methyl-5-propan-2-ylphenyl)pyrrolidine
SMILESCc1ccc(C(C)C)cc1C1CC(F)(F)CN1
InChIInChI=1S/C14H19F2N/c1-9(2)11-5-4-10(3)12(6-11)13-7-14(15,16)8-17-13/h4-6,9,13,17H,7-8H2,1-3H3
InChIKeyXENLWYOIYXSMOB-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.79
Rot. Bonds2

About 4,4-difluoro-2-(2-methyl-5-propan-2-ylphenyl)pyrrolidine

4,4-difluoro-2-(2-methyl-5-propan-2-ylphenyl)pyrrolidine (PubChem CID 176665910) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 4,4-difluoro-2-(2-methyl-5-propan-2-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name4,4-difluoro-2-(2-methyl-5-propan-2-ylphenyl)pyrrolidine
PubChem CID176665910
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4,4-difluoro-2-(2-methyl-5-propan-2-ylphenyl)pyrrolidine
SMILESCc1ccc(C(C)C)cc1C1CC(F)(F)CN1
InChIInChI=1S/C14H19F2N/c1-9(2)11-5-4-10(3)12(6-11)13-7-14(15,16)8-17-13/h4-6,9,13,17H,7-8H2,1-3H3
InChIKeyXENLWYOIYXSMOB-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 96844502
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CID 116842037
2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene
CID 143471865
2,2-dimethyl-3-(2-methyl-5-propan-2-ylphenyl)oxirane
CID 116864074
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CID 82472471
4,4-difluoro-2-(3-methylphenyl)pyrrolidine
CID 84720826
1-ethyl-4-(2-methyl-5-propan-2-ylphenyl)imidazolidin-2-one
CID 116981019
3-(2-methyl-5-propan-2-ylphenyl)cyclobutan-1-amine
CID 116962785
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
4,4-difluoro-7-propan-2-yl-2,3-dihydroisoquinolin-1-one
CID 164878038
3-(2-methyl-5-propan-2-ylphenyl)azetidin-3-ol
CID 176665443
2-(3-bromophenyl)-4,4-difluoropyrrolidine
CID 84729618

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-(2-methyl-5-propan-2-ylphenyl)pyrrolidine?
The IUPAC name of 4,4-difluoro-2-(2-methyl-5-propan-2-ylphenyl)pyrrolidine (CID 176665910) is 4,4-difluoro-2-(2-methyl-5-propan-2-ylphenyl)pyrrolidine.
What is the SMILES notation for 4,4-difluoro-2-(2-methyl-5-propan-2-ylphenyl)pyrrolidine?
The canonical SMILES for 4,4-difluoro-2-(2-methyl-5-propan-2-ylphenyl)pyrrolidine is Cc1ccc(C(C)C)cc1C1CC(F)(F)CN1.
What is the InChIKey of 4,4-difluoro-2-(2-methyl-5-propan-2-ylphenyl)pyrrolidine?
The InChIKey is XENLWYOIYXSMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-9(2)11-5-4-10(3)12(6-11)13-7-14(15,16)8-17-13/h4-6,9,13,17H,7-8H2,1-3H3.
What are the key properties of 4,4-difluoro-2-(2-methyl-5-propan-2-ylphenyl)pyrrolidine?
4,4-difluoro-2-(2-methyl-5-propan-2-ylphenyl)pyrrolidine has a molecular weight of 239.31 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-(2-methyl-5-propan-2-ylphenyl)pyrrolidine is sourced from PubChem (CID 176665910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).