1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoropyrrolidine

C11H19F2N — CID 146229196

IUPAC1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoropyrrolidine
SMILESC=C(CC(C)(C)C)N1CCC(F)(F)C1
InChIInChI=1S/C11H19F2N/c1-9(7-10(2,3)4)14-6-5-11(12,13)8-14/h1,5-8H2,2-4H3
InChIKeyDQMOZMKQHGOITF-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.28
Rot. Bonds2

About 1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoropyrrolidine

1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoropyrrolidine (PubChem CID 146229196) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoropyrrolidine
PubChem CID146229196
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoropyrrolidine
SMILESC=C(CC(C)(C)C)N1CCC(F)(F)C1
InChIInChI=1S/C11H19F2N/c1-9(7-10(2,3)4)14-6-5-11(12,13)8-14/h1,5-8H2,2-4H3
InChIKeyDQMOZMKQHGOITF-UHFFFAOYSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-Dimethylpent-1-en-2-yl)-3,3-difluoroazetidine
CID 58116614
4-Fluoro-1,4-dimethyl-2-methylidenepyrrolidine
CID 145542853
4,4-Difluoro-1-methyl-2-methylidenepyrrolidine
CID 146609473
(4S)-1-(2-fluoropropyl)-4-methyl-2-methylidenepyrrolidine
CID 156479681
1-(4,4-Dimethylpent-1-en-2-yl)-2-methylidene-5-(trifluoromethyl)pyrrolidine
CID 170016412
1-But-1-en-2-yl-3,3-difluoropyrrolidine
CID 170642143
1-(4,4-Difluorobut-1-en-2-yl)-3-methylpyrrolidine
CID 170768263
3,3-Difluoro-1-(3-methylbut-1-en-2-yl)pyrrolidine
CID 159621822
1,3,3-Trimethyl-2-methylidenepyrrolidine
CID 57785985
3,3-Dimethyl-1-(3-methylbut-1-en-2-yl)pyrrolidine
CID 57797781
1-(4,4-Dimethylpentyl)-2-methylidenepyrrolidine
CID 58391561
1,3,3-Trimethyl-2,5-dimethylidenepyrrolidine
CID 60095828

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoropyrrolidine?
The IUPAC name of 1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoropyrrolidine (CID 146229196) is 1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoropyrrolidine.
What is the SMILES notation for 1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoropyrrolidine?
The canonical SMILES for 1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoropyrrolidine is C=C(CC(C)(C)C)N1CCC(F)(F)C1.
What is the InChIKey of 1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoropyrrolidine?
The InChIKey is DQMOZMKQHGOITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-9(7-10(2,3)4)14-6-5-11(12,13)8-14/h1,5-8H2,2-4H3.
What are the key properties of 1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoropyrrolidine?
1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoropyrrolidine has a molecular weight of 203.28 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpent-1-en-2-yl)-3,3-difluoropyrrolidine is sourced from PubChem (CID 146229196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).